5-[(4-propan-2-ylphenyl)carbamoylamino]hexanoic acid

C16H24N2O3 — CID 82847921

IUPAC5-[(4-propan-2-ylphenyl)carbamoylamino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C16H24N2O3/c1-11(2)13-7-9-14(10-8-13)18-16(21)17-12(3)5-4-6-15(19)20/h7-12H,4-6H2,1-3H3,(H,19,20)(H2,17,18,21)
InChIKeyCEXAYCYYCVTSOZ-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.57
Rot. Bonds7

About 5-[(4-propan-2-ylphenyl)carbamoylamino]hexanoic acid

5-[(4-propan-2-ylphenyl)carbamoylamino]hexanoic acid (PubChem CID 82847921) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-[(4-propan-2-ylphenyl)carbamoylamino]hexanoic acid.

Molecular Properties

Compound Name5-[(4-propan-2-ylphenyl)carbamoylamino]hexanoic acid
PubChem CID82847921
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name5-[(4-propan-2-ylphenyl)carbamoylamino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C16H24N2O3/c1-11(2)13-7-9-14(10-8-13)18-16(21)17-12(3)5-4-6-15(19)20/h7-12H,4-6H2,1-3H3,(H,19,20)(H2,17,18,21)
InChIKeyCEXAYCYYCVTSOZ-UHFFFAOYSA-N
XLogP3.57
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(4-bromophenyl)carbamoylamino]hexanoic acid
CID 82846118
5-[(3,4-dichlorophenyl)carbamoylamino]hexanoic acid
CID 82854342
5-[(4-chloro-3-fluorophenyl)carbamoylamino]hexanoic acid
CID 82848581
5-[(2,6-dichlorophenyl)carbamoylamino]hexanoic acid
CID 82848270
5-[(6-methoxy-3-pyridinyl)carbamoylamino]hexanoic acid
CID 82847806
5-[(3-chloro-5-fluorophenyl)carbamoylamino]hexanoic acid
CID 107368743
1-[4-(1-aminoethyl)phenyl]-3-(6-methylheptan-2-yl)urea
CID 61471631
4-methyl-4-[(4-propan-2-ylphenyl)carbamoylamino]pentanoic acid
CID 62050370
4-[[2-oxo-2-(4-propan-2-ylanilino)ethyl]amino]butanoic acid
CID 43473710
(2R)-3-methyl-2-[(4-propan-2-ylphenyl)carbamoylamino]butanoic acid
CID 51553917
5-[(2-aminophenyl)carbamoylamino]hexanoic acid
CID 82848077
5-amino-5-(4-propan-2-ylphenyl)pentanoic acid
CID 54908179

Frequently Asked Questions

What is the IUPAC name of 5-[(4-propan-2-ylphenyl)carbamoylamino]hexanoic acid?
The IUPAC name of 5-[(4-propan-2-ylphenyl)carbamoylamino]hexanoic acid (CID 82847921) is 5-[(4-propan-2-ylphenyl)carbamoylamino]hexanoic acid.
What is the SMILES notation for 5-[(4-propan-2-ylphenyl)carbamoylamino]hexanoic acid?
The canonical SMILES for 5-[(4-propan-2-ylphenyl)carbamoylamino]hexanoic acid is CC(CCCC(=O)O)NC(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 5-[(4-propan-2-ylphenyl)carbamoylamino]hexanoic acid?
The InChIKey is CEXAYCYYCVTSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11(2)13-7-9-14(10-8-13)18-16(21)17-12(3)5-4-6-15(19)20/h7-12H,4-6H2,1-3H3,(H,19,20)(H2,17,18,21).
What are the key properties of 5-[(4-propan-2-ylphenyl)carbamoylamino]hexanoic acid?
5-[(4-propan-2-ylphenyl)carbamoylamino]hexanoic acid has a molecular weight of 292.38 g/mol, XLogP of 3.57, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-propan-2-ylphenyl)carbamoylamino]hexanoic acid is sourced from PubChem (CID 82847921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).