tert-butyl N-[1-[[2-(ethoxycarbonylamino)-4-methylpentyl]amino]-1-oxopropan-2-yl]carbamate

C17H33N3O5 — CID 55654792

IUPACtert-butyl N-[1-[[2-(ethoxycarbonylamino)-4-methylpentyl]amino]-1-oxopropan-2-yl]carbamate
SMILESCCOC(=O)NC(CNC(=O)C(C)NC(=O)OC(C)(C)C)CC(C)C
InChIInChI=1S/C17H33N3O5/c1-8-24-15(22)20-13(9-11(2)3)10-18-14(21)12(4)19-16(23)25-17(5,6)7/h11-13H,8-10H2,1-7H3,(H,18,21)(H,19,23)(H,20,22)
InChIKeyKJZUBHLNMBZXIU-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.18
Rot. Bonds8

About tert-butyl N-[1-[[2-(ethoxycarbonylamino)-4-methylpentyl]amino]-1-oxopropan-2-yl]carbamate

tert-butyl N-[1-[[2-(ethoxycarbonylamino)-4-methylpentyl]amino]-1-oxopropan-2-yl]carbamate (PubChem CID 55654792) has the molecular formula C17H33N3O5 and a molecular weight of 359.47 g/mol. Its IUPAC name is tert-butyl N-[1-[[2-(ethoxycarbonylamino)-4-methylpentyl]amino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[[2-(ethoxycarbonylamino)-4-methylpentyl]amino]-1-oxopropan-2-yl]carbamate
PubChem CID55654792
Molecular FormulaC17H33N3O5
Molecular Weight359.47 g/mol
Exact Mass359.24
IUPAC Nametert-butyl N-[1-[[2-(ethoxycarbonylamino)-4-methylpentyl]amino]-1-oxopropan-2-yl]carbamate
SMILESCCOC(=O)NC(CNC(=O)C(C)NC(=O)OC(C)(C)C)CC(C)C
InChIInChI=1S/C17H33N3O5/c1-8-24-15(22)20-13(9-11(2)3)10-18-14(21)12(4)19-16(23)25-17(5,6)7/h11-13H,8-10H2,1-7H3,(H,18,21)(H,19,23)(H,20,22)
InChIKeyKJZUBHLNMBZXIU-UHFFFAOYSA-N
XLogP2.18
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[1-[[2-(ethoxycarbonylamino)-4-methylpentyl]amino]-1-oxopropan-2-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(2S)-1-(methoxycarbonylamino)-4-methylpentan-2-yl]carbamate
CID 110288510
ethyl 3-methyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]butanoate
CID 541663
ethyl 2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate
CID 14236082
ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]acetate
CID 14236081
ethyl (2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
CID 10913206
ethyl N-[4-methyl-1-[2-(2,2,2-trifluoroethoxy)propanoylamino]pentan-2-yl]carbamate
CID 47031603
tert-butyl N-[1-(butylamino)-1-oxopropan-2-yl]carbamate
CID 10824212
tert-butyl N-[1-oxo-1-(2,3,3-trimethylbutylamino)propan-2-yl]carbamate
CID 78966459
tert-butyl N-[1-(2,2-difluoroethylamino)-1-oxopropan-2-yl]carbamate
CID 130290980
tert-butyl N-[(2S)-1-[[(2S)-3-methyl-1-(2-methylpropylamino)-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 86589156
tert-butyl (2S)-4-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]pentanoate
CID 175818879
tert-butyl N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]carbamate
CID 131026996

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[2-(ethoxycarbonylamino)-4-methylpentyl]amino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[[2-(ethoxycarbonylamino)-4-methylpentyl]amino]-1-oxopropan-2-yl]carbamate (CID 55654792) is tert-butyl N-[1-[[2-(ethoxycarbonylamino)-4-methylpentyl]amino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[[2-(ethoxycarbonylamino)-4-methylpentyl]amino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[[2-(ethoxycarbonylamino)-4-methylpentyl]amino]-1-oxopropan-2-yl]carbamate is CCOC(=O)NC(CNC(=O)C(C)NC(=O)OC(C)(C)C)CC(C)C.
What is the InChIKey of tert-butyl N-[1-[[2-(ethoxycarbonylamino)-4-methylpentyl]amino]-1-oxopropan-2-yl]carbamate?
The InChIKey is KJZUBHLNMBZXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O5/c1-8-24-15(22)20-13(9-11(2)3)10-18-14(21)12(4)19-16(23)25-17(5,6)7/h11-13H,8-10H2,1-7H3,(H,18,21)(H,19,23)(H,20,22).
What are the key properties of tert-butyl N-[1-[[2-(ethoxycarbonylamino)-4-methylpentyl]amino]-1-oxopropan-2-yl]carbamate?
tert-butyl N-[1-[[2-(ethoxycarbonylamino)-4-methylpentyl]amino]-1-oxopropan-2-yl]carbamate has a molecular weight of 359.47 g/mol, XLogP of 2.18, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[[2-(ethoxycarbonylamino)-4-methylpentyl]amino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 55654792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).