2-(naphthalen-2-ylamino)-N-pentylpropanamide

C18H24N2O — CID 43420250

IUPAC2-(naphthalen-2-ylamino)-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)Nc1ccc2ccccc2c1
InChIInChI=1S/C18H24N2O/c1-3-4-7-12-19-18(21)14(2)20-17-11-10-15-8-5-6-9-16(15)13-17/h5-6,8-11,13-14,20H,3-4,7,12H2,1-2H3,(H,19,21)
InChIKeyVRNJJZMGTPFPSU-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.95
Rot. Bonds7

About 2-(naphthalen-2-ylamino)-N-pentylpropanamide

2-(naphthalen-2-ylamino)-N-pentylpropanamide (PubChem CID 43420250) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-(naphthalen-2-ylamino)-N-pentylpropanamide.

Molecular Properties

Compound Name2-(naphthalen-2-ylamino)-N-pentylpropanamide
PubChem CID43420250
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-(naphthalen-2-ylamino)-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)Nc1ccc2ccccc2c1
InChIInChI=1S/C18H24N2O/c1-3-4-7-12-19-18(21)14(2)20-17-11-10-15-8-5-6-9-16(15)13-17/h5-6,8-11,13-14,20H,3-4,7,12H2,1-2H3,(H,19,21)
InChIKeyVRNJJZMGTPFPSU-UHFFFAOYSA-N
XLogP3.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(naphthalen-2-ylamino)-N-propylpropanamide
CID 43401181
N-(3-methylbutyl)-2-(naphthalen-2-ylamino)propanamide
CID 43420253
2-(naphthalen-2-ylamino)-N-prop-2-ynylpropanamide
CID 43420257
2-[4-(2-methoxyphenoxy)anilino]-N-pentylpropanamide
CID 134039373
N-tert-butyl-2-(naphthalen-2-ylamino)propanamide
CID 43401178
2-(3-fluoro-4-methoxyanilino)-N-pentylpropanamide
CID 43380763
2-(3-chloro-4-methoxyanilino)-N-pentylpropanamide
CID 43113186
2-(3-bromo-4-methoxyanilino)-N-pentylpropanamide
CID 63996831
2-(3,4-dimethylanilino)-N-naphthalen-2-ylpropanamide
CID 78666889
N-butyl-2-(3-chloro-4-methylanilino)propanamide
CID 43112915
2-(2-methylanilino)-N-pentylpropanamide
CID 43113317
(2S)-2-naphthalen-2-yloxy-N-pentylbutanamide
CID 92647112

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-2-ylamino)-N-pentylpropanamide?
The IUPAC name of 2-(naphthalen-2-ylamino)-N-pentylpropanamide (CID 43420250) is 2-(naphthalen-2-ylamino)-N-pentylpropanamide.
What is the SMILES notation for 2-(naphthalen-2-ylamino)-N-pentylpropanamide?
The canonical SMILES for 2-(naphthalen-2-ylamino)-N-pentylpropanamide is CCCCCNC(=O)C(C)Nc1ccc2ccccc2c1.
What is the InChIKey of 2-(naphthalen-2-ylamino)-N-pentylpropanamide?
The InChIKey is VRNJJZMGTPFPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-3-4-7-12-19-18(21)14(2)20-17-11-10-15-8-5-6-9-16(15)13-17/h5-6,8-11,13-14,20H,3-4,7,12H2,1-2H3,(H,19,21).
What are the key properties of 2-(naphthalen-2-ylamino)-N-pentylpropanamide?
2-(naphthalen-2-ylamino)-N-pentylpropanamide has a molecular weight of 284.40 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-2-ylamino)-N-pentylpropanamide is sourced from PubChem (CID 43420250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).