N-[4-(cyclopropylamino)-4-oxobutyl]naphthalene-1-carboxamide

C18H20N2O2 — CID 84533747

IUPACN-[4-(cyclopropylamino)-4-oxobutyl]naphthalene-1-carboxamide
SMILESO=C(CCCNC(=O)c1cccc2ccccc12)NC1CC1
InChIInChI=1S/C18H20N2O2/c21-17(20-14-10-11-14)9-4-12-19-18(22)16-8-3-6-13-5-1-2-7-15(13)16/h1-3,5-8,14H,4,9-12H2,(H,19,22)(H,20,21)
InChIKeyLKNFSLALZAJFMQ-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.63
Rot. Bonds6

About N-[4-(cyclopropylamino)-4-oxobutyl]naphthalene-1-carboxamide

N-[4-(cyclopropylamino)-4-oxobutyl]naphthalene-1-carboxamide (PubChem CID 84533747) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[4-(cyclopropylamino)-4-oxobutyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopropylamino)-4-oxobutyl]naphthalene-1-carboxamide
PubChem CID84533747
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-[4-(cyclopropylamino)-4-oxobutyl]naphthalene-1-carboxamide
SMILESO=C(CCCNC(=O)c1cccc2ccccc12)NC1CC1
InChIInChI=1S/C18H20N2O2/c21-17(20-14-10-11-14)9-4-12-19-18(22)16-8-3-6-13-5-1-2-7-15(13)16/h1-3,5-8,14H,4,9-12H2,(H,19,22)(H,20,21)
InChIKeyLKNFSLALZAJFMQ-UHFFFAOYSA-N
XLogP2.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-(cyclopropylamino)-4-oxobutyl]naphthalene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-[4-(cyclopropylamino)-4-oxobutyl]-2-fluorobenzamide
CID 106547636
N-[11-(naphthalene-1-carbonylamino)undecyl]naphthalene-1-carboxamide
CID 137492009
6-(naphthalene-1-carbonylamino)hexanoic acid
CID 14196780
2-[[4-(cyclopropylamino)-4-oxobutyl]carbamoyl]pyridine-3-carboxylic acid
CID 79377281
N-(3-chloropropyl)naphthalene-1-carboxamide
CID 17164120
N-[3-(cyclopropylamino)-3-oxopropyl]-1H-indole-7-carboxamide
CID 79396451
N-[4-(cyclohexylamino)-4-oxobutyl]-2-ethoxybenzamide
CID 51237421
N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108554043
N-[4-[(4-aminocyclohexyl)amino]-4-oxobutyl]-2-ethoxybenzamide;hydrochloride
CID 119476321
N-[4-(cyclopropylamino)-4-oxobutyl]thiophene-2-carboxamide
CID 51180198
N-dodecylnaphthalene-1-carboxamide
CID 4278758
N-(6-iodohexyl)naphthalene-1-carboxamide
CID 107848597

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylamino)-4-oxobutyl]naphthalene-1-carboxamide?
The IUPAC name of N-[4-(cyclopropylamino)-4-oxobutyl]naphthalene-1-carboxamide (CID 84533747) is N-[4-(cyclopropylamino)-4-oxobutyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[4-(cyclopropylamino)-4-oxobutyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[4-(cyclopropylamino)-4-oxobutyl]naphthalene-1-carboxamide is O=C(CCCNC(=O)c1cccc2ccccc12)NC1CC1.
What is the InChIKey of N-[4-(cyclopropylamino)-4-oxobutyl]naphthalene-1-carboxamide?
The InChIKey is LKNFSLALZAJFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-17(20-14-10-11-14)9-4-12-19-18(22)16-8-3-6-13-5-1-2-7-15(13)16/h1-3,5-8,14H,4,9-12H2,(H,19,22)(H,20,21).
What are the key properties of N-[4-(cyclopropylamino)-4-oxobutyl]naphthalene-1-carboxamide?
N-[4-(cyclopropylamino)-4-oxobutyl]naphthalene-1-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylamino)-4-oxobutyl]naphthalene-1-carboxamide is sourced from PubChem (CID 84533747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).