N-[[4-(propylaminocarbamoyl)phenyl]methyl]naphthalene-2-carboxamide

C22H23N3O2 — CID 162517620

IUPACN-[[4-(propylaminocarbamoyl)phenyl]methyl]naphthalene-2-carboxamide
SMILESCCCNNC(=O)c1ccc(CNC(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H23N3O2/c1-2-13-24-25-22(27)18-9-7-16(8-10-18)15-23-21(26)20-12-11-17-5-3-4-6-19(17)14-20/h3-12,14,24H,2,13,15H2,1H3,(H,23,26)(H,25,27)
InChIKeyROYPGEHCQOEDBY-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.41
Rot. Bonds7

About N-[[4-(propylaminocarbamoyl)phenyl]methyl]naphthalene-2-carboxamide

N-[[4-(propylaminocarbamoyl)phenyl]methyl]naphthalene-2-carboxamide (PubChem CID 162517620) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[[4-(propylaminocarbamoyl)phenyl]methyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(propylaminocarbamoyl)phenyl]methyl]naphthalene-2-carboxamide
PubChem CID162517620
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-[[4-(propylaminocarbamoyl)phenyl]methyl]naphthalene-2-carboxamide
SMILESCCCNNC(=O)c1ccc(CNC(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H23N3O2/c1-2-13-24-25-22(27)18-9-7-16(8-10-18)15-23-21(26)20-12-11-17-5-3-4-6-19(17)14-20/h3-12,14,24H,2,13,15H2,1H3,(H,23,26)(H,25,27)
InChIKeyROYPGEHCQOEDBY-UHFFFAOYSA-N
XLogP3.41
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N'-dicyclohexyl-2,6-naphthalenedicarboxamide
CID 21987656
2'-(4-Methylbenzoyl)-2-naphthohydrazide
CID 96762
N-(1-benzylpiperidin-4-yl)naphthalene-2-carboxamide
CID 16725912
N-(1-phenethylpiperidin-4-yl)-1-naphthamide
CID 35295787
N-[1-(2-phenylethyl)piperidin-4-yl]naphthalene-2-carboxamide
CID 35296170
Substituted Benzamide Derivative, 2
CID 44236114
6-(3-aminopropyl)benzo[h]isoquinolin-1(2H)-one
CID 44443516
PLpro inhibitor 7 [PMID: 36977673]
CID 164946795
N,N-Diethyl-4-(naphthalen-1-yl-piperidin-4-ylidene-methyl)-benzamide
CID 10620902
HDAC3 Inhibitor
CID 137700029
2'-(3-Methylbenzoyl)-2-naphthohydrazide
CID 96763
N-(1-(1-phenylethyl)piperidin-4-yl)-1-naphthamide
CID 44426498

Frequently Asked Questions

What is the IUPAC name of N-[[4-(propylaminocarbamoyl)phenyl]methyl]naphthalene-2-carboxamide?
The IUPAC name of N-[[4-(propylaminocarbamoyl)phenyl]methyl]naphthalene-2-carboxamide (CID 162517620) is N-[[4-(propylaminocarbamoyl)phenyl]methyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[[4-(propylaminocarbamoyl)phenyl]methyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[[4-(propylaminocarbamoyl)phenyl]methyl]naphthalene-2-carboxamide is CCCNNC(=O)c1ccc(CNC(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[[4-(propylaminocarbamoyl)phenyl]methyl]naphthalene-2-carboxamide?
The InChIKey is ROYPGEHCQOEDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-2-13-24-25-22(27)18-9-7-16(8-10-18)15-23-21(26)20-12-11-17-5-3-4-6-19(17)14-20/h3-12,14,24H,2,13,15H2,1H3,(H,23,26)(H,25,27).
What are the key properties of N-[[4-(propylaminocarbamoyl)phenyl]methyl]naphthalene-2-carboxamide?
N-[[4-(propylaminocarbamoyl)phenyl]methyl]naphthalene-2-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.41, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(propylaminocarbamoyl)phenyl]methyl]naphthalene-2-carboxamide is sourced from PubChem (CID 162517620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).