N-(benzylcarbamoyl)-3-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide

C17H26N4O3 — CID 24674360

IUPACN-(benzylcarbamoyl)-3-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
SMILESCC(C)NC(=O)CN(C)CCC(=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C17H26N4O3/c1-13(2)19-16(23)12-21(3)10-9-15(22)20-17(24)18-11-14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H,19,23)(H2,18,20,22,24)
InChIKeyKMIMXWOHUGYOEP-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.86
Rot. Bonds8

About N-(benzylcarbamoyl)-3-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide

N-(benzylcarbamoyl)-3-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide (PubChem CID 24674360) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-3-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-3-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
PubChem CID24674360
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC NameN-(benzylcarbamoyl)-3-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
SMILESCC(C)NC(=O)CN(C)CCC(=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C17H26N4O3/c1-13(2)19-16(23)12-21(3)10-9-15(22)20-17(24)18-11-14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H,19,23)(H2,18,20,22,24)
InChIKeyKMIMXWOHUGYOEP-UHFFFAOYSA-N
XLogP0.86
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(benzylcarbamoylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 119912328
2-[benzyl(methyl)amino]-N-propan-2-ylacetamide
CID 54808895
N-(benzylcarbamoyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 18196365
N-(benzylcarbamoyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 27197304
2-[[3-(benzylcarbamoylamino)-3-oxopropyl]-cyclopropylamino]propanoic acid
CID 122100535
N-(benzylcarbamoyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide
CID 26429400
N-(benzylcarbamoyl)-2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide
CID 18097332
N-(benzylcarbamoyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 27242893
6-(benzylcarbamoylamino)-6-oxohexanoic acid
CID 43447266
2-[[2-(benzylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(4-chlorophenyl)acetamide
CID 2699169
N-(2,6-dichlorophenyl)-3-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
CID 24589283
2-[benzyl(methyl)amino]-N-(1-phenylethyl)acetamide
CID 18078396

Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)-3-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide?
The IUPAC name of N-(benzylcarbamoyl)-3-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide (CID 24674360) is N-(benzylcarbamoyl)-3-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide.
What is the SMILES notation for N-(benzylcarbamoyl)-3-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide?
The canonical SMILES for N-(benzylcarbamoyl)-3-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide is CC(C)NC(=O)CN(C)CCC(=O)NC(=O)NCc1ccccc1.
What is the InChIKey of N-(benzylcarbamoyl)-3-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide?
The InChIKey is KMIMXWOHUGYOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-13(2)19-16(23)12-21(3)10-9-15(22)20-17(24)18-11-14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H,19,23)(H2,18,20,22,24).
What are the key properties of N-(benzylcarbamoyl)-3-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide?
N-(benzylcarbamoyl)-3-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide has a molecular weight of 334.42 g/mol, XLogP of 0.86, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamoyl)-3-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide is sourced from PubChem (CID 24674360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).