5-[[benzyl(ethyl)carbamoyl]amino]hexanoic acid

C16H24N2O3 — CID 82846735

IUPAC5-[[benzyl(ethyl)carbamoyl]amino]hexanoic acid
SMILESCCN(Cc1ccccc1)C(=O)NC(C)CCCC(=O)O
InChIInChI=1S/C16H24N2O3/c1-3-18(12-14-9-5-4-6-10-14)16(21)17-13(2)8-7-11-15(19)20/h4-6,9-10,13H,3,7-8,11-12H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyCVGMFWFLITUTBO-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.86
Rot. Bonds8

About 5-[[benzyl(ethyl)carbamoyl]amino]hexanoic acid

5-[[benzyl(ethyl)carbamoyl]amino]hexanoic acid (PubChem CID 82846735) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-[[benzyl(ethyl)carbamoyl]amino]hexanoic acid.

Molecular Properties

Compound Name5-[[benzyl(ethyl)carbamoyl]amino]hexanoic acid
PubChem CID82846735
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name5-[[benzyl(ethyl)carbamoyl]amino]hexanoic acid
SMILESCCN(Cc1ccccc1)C(=O)NC(C)CCCC(=O)O
InChIInChI=1S/C16H24N2O3/c1-3-18(12-14-9-5-4-6-10-14)16(21)17-13(2)8-7-11-15(19)20/h4-6,9-10,13H,3,7-8,11-12H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyCVGMFWFLITUTBO-UHFFFAOYSA-N
XLogP2.86
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[benzyl(ethyl)carbamoyl]amino]-3-methylbutanoic acid
CID 79010087
6-[[benzyl(ethyl)carbamoyl]amino]hexanoic acid
CID 61185010
5-[[methyl(phenyl)carbamoyl]amino]hexanoic acid
CID 82846573
4-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027367
5-[[ethyl-(2-fluorophenyl)carbamoyl]amino]hexanoic acid
CID 82847956
5-[[ethyl(prop-2-ynyl)carbamoyl]amino]hexanoic acid
CID 82848607
1,1-dibenzyl-3-propan-2-ylurea
CID 23988482
N-[benzyl(ethyl)carbamoyl]-2-chloropropanamide
CID 43328921
4-[[ethyl(2-methylpropyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027258
N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262
1-benzyl-3-(1-methoxypropan-2-yl)-1-propylurea
CID 86999284
4-[[butyl(ethyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027362

Frequently Asked Questions

What is the IUPAC name of 5-[[benzyl(ethyl)carbamoyl]amino]hexanoic acid?
The IUPAC name of 5-[[benzyl(ethyl)carbamoyl]amino]hexanoic acid (CID 82846735) is 5-[[benzyl(ethyl)carbamoyl]amino]hexanoic acid.
What is the SMILES notation for 5-[[benzyl(ethyl)carbamoyl]amino]hexanoic acid?
The canonical SMILES for 5-[[benzyl(ethyl)carbamoyl]amino]hexanoic acid is CCN(Cc1ccccc1)C(=O)NC(C)CCCC(=O)O.
What is the InChIKey of 5-[[benzyl(ethyl)carbamoyl]amino]hexanoic acid?
The InChIKey is CVGMFWFLITUTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-18(12-14-9-5-4-6-10-14)16(21)17-13(2)8-7-11-15(19)20/h4-6,9-10,13H,3,7-8,11-12H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 5-[[benzyl(ethyl)carbamoyl]amino]hexanoic acid?
5-[[benzyl(ethyl)carbamoyl]amino]hexanoic acid has a molecular weight of 292.38 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[benzyl(ethyl)carbamoyl]amino]hexanoic acid is sourced from PubChem (CID 82846735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).