[1-[[5-(dimethylamino)-1-hydroxy-5-oxopentan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl] carbamate

C15H29N3O5 — CID 175379884

IUPAC[1-[[5-(dimethylamino)-1-hydroxy-5-oxopentan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl] carbamate
SMILESCN(C)C(=O)CCC(CO)NC(=O)C(CC(C)(C)C)OC(N)=O
InChIInChI=1S/C15H29N3O5/c1-15(2,3)8-11(23-14(16)22)13(21)17-10(9-19)6-7-12(20)18(4)5/h10-11,19H,6-9H2,1-5H3,(H2,16,22)(H,17,21)
InChIKeyMSLJMKBXAVUVBU-UHFFFAOYSA-N
MW331.41 g/mol
LogP0.23
Rot. Bonds8

About [1-[[5-(dimethylamino)-1-hydroxy-5-oxopentan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl] carbamate

[1-[[5-(dimethylamino)-1-hydroxy-5-oxopentan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl] carbamate (PubChem CID 175379884) has the molecular formula C15H29N3O5 and a molecular weight of 331.41 g/mol. Its IUPAC name is [1-[[5-(dimethylamino)-1-hydroxy-5-oxopentan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl] carbamate.

Molecular Properties

Compound Name[1-[[5-(dimethylamino)-1-hydroxy-5-oxopentan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl] carbamate
PubChem CID175379884
Molecular FormulaC15H29N3O5
Molecular Weight331.41 g/mol
Exact Mass331.21
IUPAC Name[1-[[5-(dimethylamino)-1-hydroxy-5-oxopentan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl] carbamate
SMILESCN(C)C(=O)CCC(CO)NC(=O)C(CC(C)(C)C)OC(N)=O
InChIInChI=1S/C15H29N3O5/c1-15(2,3)8-11(23-14(16)22)13(21)17-10(9-19)6-7-12(20)18(4)5/h10-11,19H,6-9H2,1-5H3,(H2,16,22)(H,17,21)
InChIKeyMSLJMKBXAVUVBU-UHFFFAOYSA-N
XLogP0.23
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [1-[[5-(dimethylamino)-1-hydroxy-5-oxopentan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl] carbamate with MolForge

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Related Compounds

[(2R)-5-(dimethylamino)-1-hydroxy-5-oxopentan-2-yl]carbamic acid
CID 87852629
[1-[methoxy(methyl)amino]-4,4-dimethyl-1-oxopentan-2-yl] carbamate
CID 160785911
[(2S)-1-hydroxy-4,4-dimethylpentan-2-yl] carbamate
CID 87120669
[(2S)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl] carbamate
CID 170171988
methyl 5-(dimethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
CID 85196754
4-acetamido-5-hydroxypentanamide
CID 123414269
5-(dimethylamino)-2-methyl-5-oxopentanoic acid;methyl 5-(dimethylamino)-2-methyl-5-oxopentanoate
CID 175356213
ethyl 5-hydroxy-4-(methoxycarbonylamino)pentanoate
CID 71749117
methyl 2-(hydroxymethyl)-4,4-dimethylpentanoate
CID 86048899
(4R)-N,N-dimethyl-5-phenyl-4-[(2,2,2-trifluoroacetyl)amino]pentanamide
CID 102062038
[(2S)-3-cyclohexyl-1-[[(2S)-5-[2-ethoxyethyl(methyl)amino]-1-hydroxy-5-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid
CID 166748481
methane;N,N,4-trimethylpentanamide
CID 160907901

Frequently Asked Questions

What is the IUPAC name of [1-[[5-(dimethylamino)-1-hydroxy-5-oxopentan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl] carbamate?
The IUPAC name of [1-[[5-(dimethylamino)-1-hydroxy-5-oxopentan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl] carbamate (CID 175379884) is [1-[[5-(dimethylamino)-1-hydroxy-5-oxopentan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl] carbamate.
What is the SMILES notation for [1-[[5-(dimethylamino)-1-hydroxy-5-oxopentan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl] carbamate?
The canonical SMILES for [1-[[5-(dimethylamino)-1-hydroxy-5-oxopentan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl] carbamate is CN(C)C(=O)CCC(CO)NC(=O)C(CC(C)(C)C)OC(N)=O.
What is the InChIKey of [1-[[5-(dimethylamino)-1-hydroxy-5-oxopentan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl] carbamate?
The InChIKey is MSLJMKBXAVUVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O5/c1-15(2,3)8-11(23-14(16)22)13(21)17-10(9-19)6-7-12(20)18(4)5/h10-11,19H,6-9H2,1-5H3,(H2,16,22)(H,17,21).
What are the key properties of [1-[[5-(dimethylamino)-1-hydroxy-5-oxopentan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl] carbamate?
[1-[[5-(dimethylamino)-1-hydroxy-5-oxopentan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl] carbamate has a molecular weight of 331.41 g/mol, XLogP of 0.23, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[5-(dimethylamino)-1-hydroxy-5-oxopentan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl] carbamate is sourced from PubChem (CID 175379884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).