4-amino-N-[2-(dimethylamino)-3-ethylpentyl]benzamide

C16H27N3O — CID 61276034

IUPAC4-amino-N-[2-(dimethylamino)-3-ethylpentyl]benzamide
SMILESCCC(CC)C(CNC(=O)c1ccc(N)cc1)N(C)C
InChIInChI=1S/C16H27N3O/c1-5-12(6-2)15(19(3)4)11-18-16(20)13-7-9-14(17)10-8-13/h7-10,12,15H,5-6,11,17H2,1-4H3,(H,18,20)
InChIKeyNUNSRJNQAKGDGN-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.37
Rot. Bonds7

About 4-amino-N-[2-(dimethylamino)-3-ethylpentyl]benzamide

4-amino-N-[2-(dimethylamino)-3-ethylpentyl]benzamide (PubChem CID 61276034) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-amino-N-[2-(dimethylamino)-3-ethylpentyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[2-(dimethylamino)-3-ethylpentyl]benzamide
PubChem CID61276034
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name4-amino-N-[2-(dimethylamino)-3-ethylpentyl]benzamide
SMILESCCC(CC)C(CNC(=O)c1ccc(N)cc1)N(C)C
InChIInChI=1S/C16H27N3O/c1-5-12(6-2)15(19(3)4)11-18-16(20)13-7-9-14(17)10-8-13/h7-10,12,15H,5-6,11,17H2,1-4H3,(H,18,20)
InChIKeyNUNSRJNQAKGDGN-UHFFFAOYSA-N
XLogP2.37
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.37
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-(2-methylbutyl)benzamide
CID 22242294
3-bromo-4-chloro-N-[2-(dimethylamino)-3-ethylpentyl]benzamide
CID 107999470
4-amino-N-(2-aminopropyl)benzamide
CID 130891998
2-chloro-N-[2-(dimethylamino)-3-ethylpentyl]pyridine-3-carboxamide
CID 61248888
4-amino-N-(3-ethylpentan-2-yl)benzamide
CID 55261321
4-amino-N-[2-[(4-aminobenzoyl)amino]propyl]benzamide
CID 3100251
2,4-dibromo-N-[2-(dimethylamino)-3-ethylpentyl]benzamide
CID 107952235
4-amino-N-[[(4-aminobenzoyl)amino]methyl]benzamide
CID 22949694
N-(2-amino-3-ethylpentyl)-4-ethylbenzamide
CID 106286266
4-amino-N-[6-amino-2-(diethylamino)hexyl]benzamide
CID 70515334
4-amino-N-butan-2-ylbenzamide
CID 3503917
4-amino-N-butan-2-yl-N-methylbenzamide
CID 43272431

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(dimethylamino)-3-ethylpentyl]benzamide?
The IUPAC name of 4-amino-N-[2-(dimethylamino)-3-ethylpentyl]benzamide (CID 61276034) is 4-amino-N-[2-(dimethylamino)-3-ethylpentyl]benzamide.
What is the SMILES notation for 4-amino-N-[2-(dimethylamino)-3-ethylpentyl]benzamide?
The canonical SMILES for 4-amino-N-[2-(dimethylamino)-3-ethylpentyl]benzamide is CCC(CC)C(CNC(=O)c1ccc(N)cc1)N(C)C.
What is the InChIKey of 4-amino-N-[2-(dimethylamino)-3-ethylpentyl]benzamide?
The InChIKey is NUNSRJNQAKGDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-12(6-2)15(19(3)4)11-18-16(20)13-7-9-14(17)10-8-13/h7-10,12,15H,5-6,11,17H2,1-4H3,(H,18,20).
What are the key properties of 4-amino-N-[2-(dimethylamino)-3-ethylpentyl]benzamide?
4-amino-N-[2-(dimethylamino)-3-ethylpentyl]benzamide has a molecular weight of 277.41 g/mol, XLogP of 2.37, 7 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)-3-ethylpentyl]benzamide is sourced from PubChem (CID 61276034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).