N-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide

C22H29N3O2 — CID 119591532

IUPACN-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide
SMILESNCC(NC(=O)CCNC(=O)c1ccc2ccccc2c1)C1CCCCC1
InChIInChI=1S/C22H29N3O2/c23-15-20(17-7-2-1-3-8-17)25-21(26)12-13-24-22(27)19-11-10-16-6-4-5-9-18(16)14-19/h4-6,9-11,14,17,20H,1-3,7-8,12-13,15,23H2,(H,24,27)(H,25,26)
InChIKeyNRENMNWNGDHVFQ-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.98
Rot. Bonds7

About N-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide

N-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide (PubChem CID 119591532) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide
PubChem CID119591532
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide
SMILESNCC(NC(=O)CCNC(=O)c1ccc2ccccc2c1)C1CCCCC1
InChIInChI=1S/C22H29N3O2/c23-15-20(17-7-2-1-3-8-17)25-21(26)12-13-24-22(27)19-11-10-16-6-4-5-9-18(16)14-19/h4-6,9-11,14,17,20H,1-3,7-8,12-13,15,23H2,(H,24,27)(H,25,26)
InChIKeyNRENMNWNGDHVFQ-UHFFFAOYSA-N
XLogP2.98
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutyl]benzamide
CID 119591993
N-(2-amino-1-cyclopropylethyl)naphthalene-2-carboxamide
CID 65189109
N-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropyl]furan-2-carboxamide;hydrochloride
CID 119589410
N-[3-(2-aminoethylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 119384874
N-(2-amino-1-cyclohexylethyl)-2-naphthalen-1-ylacetamide
CID 119591137
N-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-3-bromobenzamide;hydrochloride
CID 119589813
N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutyl]thiophene-3-carboxamide;hydrochloride
CID 119589940
N-[3-(methylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 47161001
N-(2-amino-1-cyclohexylethyl)-3-phenylpropanamide;hydrochloride
CID 119260925
N-[3-[[(2R)-oxan-2-yl]oxyamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 95285310
3-methyl-2-[3-(naphthalene-2-carbonylamino)propanoylamino]butanoic acid
CID 119169798
4-[3-(naphthalene-2-carbonylamino)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229008

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide (CID 119591532) is N-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide is NCC(NC(=O)CCNC(=O)c1ccc2ccccc2c1)C1CCCCC1.
What is the InChIKey of N-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide?
The InChIKey is NRENMNWNGDHVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c23-15-20(17-7-2-1-3-8-17)25-21(26)12-13-24-22(27)19-11-10-16-6-4-5-9-18(16)14-19/h4-6,9-11,14,17,20H,1-3,7-8,12-13,15,23H2,(H,24,27)(H,25,26).
What are the key properties of N-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide?
N-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 2.98, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide is sourced from PubChem (CID 119591532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).