4-amino-N-butylnaphthalene-1-carboxamide

C15H18N2O — CID 70501501

IUPAC4-amino-N-butylnaphthalene-1-carboxamide
SMILESCCCCNC(=O)c1ccc(N)c2ccccc12
InChIInChI=1S/C15H18N2O/c1-2-3-10-17-15(18)13-8-9-14(16)12-7-5-4-6-11(12)13/h4-9H,2-3,10,16H2,1H3,(H,17,18)
InChIKeyZQKQASJJHMSYSN-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.95
Rot. Bonds4

About 4-amino-N-butylnaphthalene-1-carboxamide

4-amino-N-butylnaphthalene-1-carboxamide (PubChem CID 70501501) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-amino-N-butylnaphthalene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-butylnaphthalene-1-carboxamide
PubChem CID70501501
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name4-amino-N-butylnaphthalene-1-carboxamide
SMILESCCCCNC(=O)c1ccc(N)c2ccccc12
InChIInChI=1S/C15H18N2O/c1-2-3-10-17-15(18)13-8-9-14(16)12-7-5-4-6-11(12)13/h4-9H,2-3,10,16H2,1H3,(H,17,18)
InChIKeyZQKQASJJHMSYSN-UHFFFAOYSA-N
XLogP2.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[2-(dimethylamino)ethyl]naphthalene-1-carboxamide
CID 164662948
4-hydroxy-N-pentylnaphthalene-1-carboxamide
CID 139771877
4-fluoro-N-pentylnaphthalene-1-carboxamide
CID 114088205
2-[(4-aminonaphthalene-1-carbonyl)amino]acetic acid
CID 164662945
2-amino-N-dodecylbenzamide
CID 54099396
N-butyl-1-(methylamino)isoquinoline-4-carboxamide
CID 106769901
N-dodecylnaphthalene-1-carboxamide
CID 4278758
N-butyl-4-(3-fluoroanilino)naphthalene-1-carboxamide
CID 57410634
2,3-diamino-N-hexadecylbenzamide
CID 68850287
2,4-diamino-N-hexylbenzamide
CID 61111728
2-[(2R)-2-amino-3-hydroxypropyl]-N-butylbenzamide
CID 18660323
N-[2-(butylcarbamoyl)phenyl]-2,3-dihydroxybenzamide
CID 139926551

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butylnaphthalene-1-carboxamide?
The IUPAC name of 4-amino-N-butylnaphthalene-1-carboxamide (CID 70501501) is 4-amino-N-butylnaphthalene-1-carboxamide.
What is the SMILES notation for 4-amino-N-butylnaphthalene-1-carboxamide?
The canonical SMILES for 4-amino-N-butylnaphthalene-1-carboxamide is CCCCNC(=O)c1ccc(N)c2ccccc12.
What is the InChIKey of 4-amino-N-butylnaphthalene-1-carboxamide?
The InChIKey is ZQKQASJJHMSYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-2-3-10-17-15(18)13-8-9-14(16)12-7-5-4-6-11(12)13/h4-9H,2-3,10,16H2,1H3,(H,17,18).
What are the key properties of 4-amino-N-butylnaphthalene-1-carboxamide?
4-amino-N-butylnaphthalene-1-carboxamide has a molecular weight of 242.32 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butylnaphthalene-1-carboxamide is sourced from PubChem (CID 70501501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).