4-[3-(naphthalene-2-carbonylamino)propanoylamino]cyclohexane-1-carboxylic acid

C21H24N2O4 — CID 119229008

IUPAC4-[3-(naphthalene-2-carbonylamino)propanoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(CCNC(=O)c1ccc2ccccc2c1)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C21H24N2O4/c24-19(23-18-9-7-15(8-10-18)21(26)27)11-12-22-20(25)17-6-5-14-3-1-2-4-16(14)13-17/h1-6,13,15,18H,7-12H2,(H,22,25)(H,23,24)(H,26,27)
InChIKeyCMKBTMMZUGCIME-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.72
Rot. Bonds6

About 4-[3-(naphthalene-2-carbonylamino)propanoylamino]cyclohexane-1-carboxylic acid

4-[3-(naphthalene-2-carbonylamino)propanoylamino]cyclohexane-1-carboxylic acid (PubChem CID 119229008) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 4-[3-(naphthalene-2-carbonylamino)propanoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-(naphthalene-2-carbonylamino)propanoylamino]cyclohexane-1-carboxylic acid
PubChem CID119229008
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name4-[3-(naphthalene-2-carbonylamino)propanoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(CCNC(=O)c1ccc2ccccc2c1)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C21H24N2O4/c24-19(23-18-9-7-15(8-10-18)21(26)27)11-12-22-20(25)17-6-5-14-3-1-2-4-16(14)13-17/h1-6,13,15,18H,7-12H2,(H,22,25)(H,23,24)(H,26,27)
InChIKeyCMKBTMMZUGCIME-UHFFFAOYSA-N
XLogP2.72
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(methylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 47161001
cis-(1R,3S)-3-[3-[(2-phenylacetyl)amino]propanoylamino]cyclopentane-1-carboxylic acid
CID 120678404
N-[3-(2-aminoethylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 119384874
4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 79381463
4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 79395809
N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide
CID 101181857
4-[2,6-difluoro-4-[4-(naphthalene-2-carbonylamino)butanoyl]phenoxy]cyclohexane-1-carboxylic acid
CID 162216330
4-(3-acetamidopropanoylamino)cyclohexane-1-carboxylic acid
CID 60808705
N-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 119591532
N-(2-hydroxyethyl)naphthalene-2-carboxamide
CID 13288324
3-methyl-2-[3-(naphthalene-2-carbonylamino)propanoylamino]butanoic acid
CID 119169798
N-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191350

Frequently Asked Questions

What is the IUPAC name of 4-[3-(naphthalene-2-carbonylamino)propanoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[3-(naphthalene-2-carbonylamino)propanoylamino]cyclohexane-1-carboxylic acid (CID 119229008) is 4-[3-(naphthalene-2-carbonylamino)propanoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[3-(naphthalene-2-carbonylamino)propanoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[3-(naphthalene-2-carbonylamino)propanoylamino]cyclohexane-1-carboxylic acid is O=C(CCNC(=O)c1ccc2ccccc2c1)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[3-(naphthalene-2-carbonylamino)propanoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is CMKBTMMZUGCIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c24-19(23-18-9-7-15(8-10-18)21(26)27)11-12-22-20(25)17-6-5-14-3-1-2-4-16(14)13-17/h1-6,13,15,18H,7-12H2,(H,22,25)(H,23,24)(H,26,27).
What are the key properties of 4-[3-(naphthalene-2-carbonylamino)propanoylamino]cyclohexane-1-carboxylic acid?
4-[3-(naphthalene-2-carbonylamino)propanoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 368.43 g/mol, XLogP of 2.72, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(naphthalene-2-carbonylamino)propanoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 119229008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).