4-methoxy-N-[3-(methylamino)propyl]naphthalene-1-carboxamide

C16H20N2O2 — CID 119431564

IUPAC4-methoxy-N-[3-(methylamino)propyl]naphthalene-1-carboxamide
SMILESCNCCCNC(=O)c1ccc(OC)c2ccccc12
InChIInChI=1S/C16H20N2O2/c1-17-10-5-11-18-16(19)14-8-9-15(20-2)13-7-4-3-6-12(13)14/h3-4,6-9,17H,5,10-11H2,1-2H3,(H,18,19)
InChIKeyRVKKBSQBMILESH-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.19
Rot. Bonds6

About 4-methoxy-N-[3-(methylamino)propyl]naphthalene-1-carboxamide

4-methoxy-N-[3-(methylamino)propyl]naphthalene-1-carboxamide (PubChem CID 119431564) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-methoxy-N-[3-(methylamino)propyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[3-(methylamino)propyl]naphthalene-1-carboxamide
PubChem CID119431564
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name4-methoxy-N-[3-(methylamino)propyl]naphthalene-1-carboxamide
SMILESCNCCCNC(=O)c1ccc(OC)c2ccccc12
InChIInChI=1S/C16H20N2O2/c1-17-10-5-11-18-16(19)14-8-9-15(20-2)13-7-4-3-6-12(13)14/h3-4,6-9,17H,5,10-11H2,1-2H3,(H,18,19)
InChIKeyRVKKBSQBMILESH-UHFFFAOYSA-N
XLogP2.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[di(propan-2-yl)amino]ethyl]-4-methoxynaphthalene-1-carboxamide
CID 18160783
2,3,4-trimethoxy-N-nonylbenzamide
CID 46549952
4-methoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]naphthalene-1-carboxamide
CID 112844412
N-cyclopropyl-4-methoxynaphthalene-1-carboxamide
CID 27537333
2-(4-methoxyanilino)-N-[3-(methylamino)propyl]benzamide
CID 119430354
2-methoxy-N-[3-methyl-1-[3-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide;hydrochloride
CID 119429462
N-[3-(ethylamino)propyl]-2,3-dimethoxybenzamide
CID 43601624
N-(3-cyanopropyl)-2,3,4-trimethoxybenzamide
CID 62667011
N-(3-hydroxypropyl)-2,4-dimethoxy-3-methylbenzamide
CID 98016459
N-(3-iodopropyl)-2,3-dimethoxybenzamide
CID 114504514
N-(4-hydroxybutyl)-2,3-dimethoxybenzamide
CID 106843372
N-[3-(methylamino)propyl]-1-benzothiophene-3-carboxamide
CID 55012748

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-(methylamino)propyl]naphthalene-1-carboxamide?
The IUPAC name of 4-methoxy-N-[3-(methylamino)propyl]naphthalene-1-carboxamide (CID 119431564) is 4-methoxy-N-[3-(methylamino)propyl]naphthalene-1-carboxamide.
What is the SMILES notation for 4-methoxy-N-[3-(methylamino)propyl]naphthalene-1-carboxamide?
The canonical SMILES for 4-methoxy-N-[3-(methylamino)propyl]naphthalene-1-carboxamide is CNCCCNC(=O)c1ccc(OC)c2ccccc12.
What is the InChIKey of 4-methoxy-N-[3-(methylamino)propyl]naphthalene-1-carboxamide?
The InChIKey is RVKKBSQBMILESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-17-10-5-11-18-16(19)14-8-9-15(20-2)13-7-4-3-6-12(13)14/h3-4,6-9,17H,5,10-11H2,1-2H3,(H,18,19).
What are the key properties of 4-methoxy-N-[3-(methylamino)propyl]naphthalene-1-carboxamide?
4-methoxy-N-[3-(methylamino)propyl]naphthalene-1-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-(methylamino)propyl]naphthalene-1-carboxamide is sourced from PubChem (CID 119431564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).