4-amino-N-[2-(dimethylamino)ethyl]naphthalene-1-carboxamide

C15H19N3O — CID 164662948

IUPAC4-amino-N-[2-(dimethylamino)ethyl]naphthalene-1-carboxamide
SMILESCN(C)CCNC(=O)c1ccc(N)c2ccccc12
InChIInChI=1S/C15H19N3O/c1-18(2)10-9-17-15(19)13-7-8-14(16)12-6-4-3-5-11(12)13/h3-8H,9-10,16H2,1-2H3,(H,17,19)
InChIKeyFBBJSXMPZMJMHL-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.71
Rot. Bonds4

About 4-amino-N-[2-(dimethylamino)ethyl]naphthalene-1-carboxamide

4-amino-N-[2-(dimethylamino)ethyl]naphthalene-1-carboxamide (PubChem CID 164662948) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-amino-N-[2-(dimethylamino)ethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(dimethylamino)ethyl]naphthalene-1-carboxamide
PubChem CID164662948
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-amino-N-[2-(dimethylamino)ethyl]naphthalene-1-carboxamide
SMILESCN(C)CCNC(=O)c1ccc(N)c2ccccc12
InChIInChI=1S/C15H19N3O/c1-18(2)10-9-17-15(19)13-7-8-14(16)12-6-4-3-5-11(12)13/h3-8H,9-10,16H2,1-2H3,(H,17,19)
InChIKeyFBBJSXMPZMJMHL-UHFFFAOYSA-N
XLogP1.71
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-butylnaphthalene-1-carboxamide
CID 70501501
3-amino-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide
CID 61209338
2-[(4-aminonaphthalene-1-carbonyl)amino]acetic acid
CID 164662945
3-amino-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide
CID 172646860
N-[2-(dimethylamino)ethyl]-1-benzothiophene-3-carboxamide
CID 13058563
2-amino-4-bromo-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride
CID 120994241
2-[2-[2-(dimethylamino)ethylcarbamoyl]phenyl]acetic acid
CID 114199769
3-amino-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 110849614
2-(2-acetylphenyl)-3-amino-N-[2-(dimethylamino)ethyl]benzamide
CID 70387318
N-[2-(dimethylamino)ethyl]-2-(2-methylanilino)benzamide
CID 163646514
9-amino-N-[2-(dimethylamino)ethyl]-5-fluoroacridine-4-carboxamide
CID 1818
N-[2-(dimethylamino)ethyl]-2,6-difluorobenzamide
CID 17249262

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(dimethylamino)ethyl]naphthalene-1-carboxamide?
The IUPAC name of 4-amino-N-[2-(dimethylamino)ethyl]naphthalene-1-carboxamide (CID 164662948) is 4-amino-N-[2-(dimethylamino)ethyl]naphthalene-1-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(dimethylamino)ethyl]naphthalene-1-carboxamide?
The canonical SMILES for 4-amino-N-[2-(dimethylamino)ethyl]naphthalene-1-carboxamide is CN(C)CCNC(=O)c1ccc(N)c2ccccc12.
What is the InChIKey of 4-amino-N-[2-(dimethylamino)ethyl]naphthalene-1-carboxamide?
The InChIKey is FBBJSXMPZMJMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-18(2)10-9-17-15(19)13-7-8-14(16)12-6-4-3-5-11(12)13/h3-8H,9-10,16H2,1-2H3,(H,17,19).
What are the key properties of 4-amino-N-[2-(dimethylamino)ethyl]naphthalene-1-carboxamide?
4-amino-N-[2-(dimethylamino)ethyl]naphthalene-1-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(dimethylamino)ethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 164662948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).