tert-butyl N-[1-[[2-[[1-(dimethylcarbamoyl)cyclopropyl]amino]-2-oxoethyl]amino]-2-hydroxy-1-oxohexan-3-yl]carbamate

C19H34N4O6 — CID 163481008

IUPACtert-butyl N-[1-[[2-[[1-(dimethylcarbamoyl)cyclopropyl]amino]-2-oxoethyl]amino]-2-hydroxy-1-oxohexan-3-yl]carbamate
SMILESCCCC(NC(=O)OC(C)(C)C)C(O)C(=O)NCC(=O)NC1(C(=O)N(C)C)CC1
InChIInChI=1S/C19H34N4O6/c1-7-8-12(21-17(28)29-18(2,3)4)14(25)15(26)20-11-13(24)22-19(9-10-19)16(27)23(5)6/h12,14,25H,7-11H2,1-6H3,(H,20,26)(H,21,28)(H,22,24)
InChIKeyCENGSQIMWPAKIB-UHFFFAOYSA-N
MW414.50 g/mol
LogP-0.11
Rot. Bonds9

About tert-butyl N-[1-[[2-[[1-(dimethylcarbamoyl)cyclopropyl]amino]-2-oxoethyl]amino]-2-hydroxy-1-oxohexan-3-yl]carbamate

tert-butyl N-[1-[[2-[[1-(dimethylcarbamoyl)cyclopropyl]amino]-2-oxoethyl]amino]-2-hydroxy-1-oxohexan-3-yl]carbamate (PubChem CID 163481008) has the molecular formula C19H34N4O6 and a molecular weight of 414.50 g/mol. Its IUPAC name is tert-butyl N-[1-[[2-[[1-(dimethylcarbamoyl)cyclopropyl]amino]-2-oxoethyl]amino]-2-hydroxy-1-oxohexan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[[2-[[1-(dimethylcarbamoyl)cyclopropyl]amino]-2-oxoethyl]amino]-2-hydroxy-1-oxohexan-3-yl]carbamate
PubChem CID163481008
Molecular FormulaC19H34N4O6
Molecular Weight414.50 g/mol
Exact Mass414.25
IUPAC Nametert-butyl N-[1-[[2-[[1-(dimethylcarbamoyl)cyclopropyl]amino]-2-oxoethyl]amino]-2-hydroxy-1-oxohexan-3-yl]carbamate
SMILESCCCC(NC(=O)OC(C)(C)C)C(O)C(=O)NCC(=O)NC1(C(=O)N(C)C)CC1
InChIInChI=1S/C19H34N4O6/c1-7-8-12(21-17(28)29-18(2,3)4)14(25)15(26)20-11-13(24)22-19(9-10-19)16(27)23(5)6/h12,14,25H,7-11H2,1-6H3,(H,20,26)(H,21,28)(H,22,24)
InChIKeyCENGSQIMWPAKIB-UHFFFAOYSA-N
XLogP-0.11
TPSA137.07 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 5-0.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[1-[[2-[[1-(dimethylcarbamoyl)cyclopropyl]amino]-2-oxoethyl]amino]-2-hydroxy-1-oxohexan-3-yl]carbamate with MolForge

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Related Compounds

methyl 2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoyl]amino]acetate
CID 21016958
ethyl 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 22662602
tert-butyl 2-[[2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoyl]amino]acetyl]amino]-2-phenylacetate
CID 20752683
tert-butyl N-[(3S)-1-(cyclopropylamino)-2-hydroxy-6-(2-methylbutan-2-ylamino)-1,6-dioxohexan-3-yl]carbamate
CID 166937100
tert-butyl N-[(2S)-1-(benzylamino)-2-hydroxy-1-oxoheptan-3-yl]carbamate
CID 118389568
(2S)-2-[[2-[[(1S)-3-amino-1,2-dihydroxyhexyl]amino]acetyl]amino]-N,N-dimethyl-2-phenylacetamide;(2S)-2-[[2-[[(1S)-3-amino-1-hydroxy-2-oxohexyl]amino]acetyl]amino]-N,N-dimethyl-2-phenylacetamide;tert-butyl N-[(1S)-1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1-hydroxy-2-oxohexan-3-yl]carbamate;tert-butyl N-[1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-2-hydroxy-1-oxohexan-3-yl]carbamate;2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]acetic acid;trihydrochloride
CID 157207060
tert-butyl 2-[(2-hydroxy-3-methylhexanoyl)amino]acetate
CID 20810601
tert-butyl N-[1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-2-hydroxy-5-methyl-1-oxohexan-3-yl]carbamate;2-[[2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]acetic acid;methane
CID 160791031
(2S)-2-amino-N,N-dimethyl-2-phenylacetamide;tert-butyl N-[1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-2-hydroxy-5-methylsulfanyl-1-oxopentan-3-yl]carbamate;2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-methylsulfanylpentanoyl]amino]acetic acid;hydrochloride
CID 160707930
tert-butyl 3-[[(3S)-1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-2-hydroxy-1-oxohexan-3-yl]carbamoyl]-4-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylate
CID 68550709
tert-butyl N-[1-(2,2-dimethylhydrazinyl)-1-oxopentan-2-yl]carbamate
CID 116849888
tert-butyl N-[(2S,3S)-2-hydroxyheptan-3-yl]carbamate
CID 23243729

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[2-[[1-(dimethylcarbamoyl)cyclopropyl]amino]-2-oxoethyl]amino]-2-hydroxy-1-oxohexan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[[2-[[1-(dimethylcarbamoyl)cyclopropyl]amino]-2-oxoethyl]amino]-2-hydroxy-1-oxohexan-3-yl]carbamate (CID 163481008) is tert-butyl N-[1-[[2-[[1-(dimethylcarbamoyl)cyclopropyl]amino]-2-oxoethyl]amino]-2-hydroxy-1-oxohexan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[[2-[[1-(dimethylcarbamoyl)cyclopropyl]amino]-2-oxoethyl]amino]-2-hydroxy-1-oxohexan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[[2-[[1-(dimethylcarbamoyl)cyclopropyl]amino]-2-oxoethyl]amino]-2-hydroxy-1-oxohexan-3-yl]carbamate is CCCC(NC(=O)OC(C)(C)C)C(O)C(=O)NCC(=O)NC1(C(=O)N(C)C)CC1.
What is the InChIKey of tert-butyl N-[1-[[2-[[1-(dimethylcarbamoyl)cyclopropyl]amino]-2-oxoethyl]amino]-2-hydroxy-1-oxohexan-3-yl]carbamate?
The InChIKey is CENGSQIMWPAKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O6/c1-7-8-12(21-17(28)29-18(2,3)4)14(25)15(26)20-11-13(24)22-19(9-10-19)16(27)23(5)6/h12,14,25H,7-11H2,1-6H3,(H,20,26)(H,21,28)(H,22,24).
What are the key properties of tert-butyl N-[1-[[2-[[1-(dimethylcarbamoyl)cyclopropyl]amino]-2-oxoethyl]amino]-2-hydroxy-1-oxohexan-3-yl]carbamate?
tert-butyl N-[1-[[2-[[1-(dimethylcarbamoyl)cyclopropyl]amino]-2-oxoethyl]amino]-2-hydroxy-1-oxohexan-3-yl]carbamate has a molecular weight of 414.50 g/mol, XLogP of -0.11, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[[2-[[1-(dimethylcarbamoyl)cyclopropyl]amino]-2-oxoethyl]amino]-2-hydroxy-1-oxohexan-3-yl]carbamate is sourced from PubChem (CID 163481008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).