N-(3-aminobutyl)-4-[butyl(ethyl)amino]benzamide

C17H29N3O — CID 119495764

IUPACN-(3-aminobutyl)-4-[butyl(ethyl)amino]benzamide
SMILESCCCCN(CC)c1ccc(C(=O)NCCC(C)N)cc1
InChIInChI=1S/C17H29N3O/c1-4-6-13-20(5-2)16-9-7-15(8-10-16)17(21)19-12-11-14(3)18/h7-10,14H,4-6,11-13,18H2,1-3H3,(H,19,21)
InChIKeyYHFBIOOPXZRSFO-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.78
Rot. Bonds9

About N-(3-aminobutyl)-4-[butyl(ethyl)amino]benzamide

N-(3-aminobutyl)-4-[butyl(ethyl)amino]benzamide (PubChem CID 119495764) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-(3-aminobutyl)-4-[butyl(ethyl)amino]benzamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-4-[butyl(ethyl)amino]benzamide
PubChem CID119495764
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-(3-aminobutyl)-4-[butyl(ethyl)amino]benzamide
SMILESCCCCN(CC)c1ccc(C(=O)NCCC(C)N)cc1
InChIInChI=1S/C17H29N3O/c1-4-6-13-20(5-2)16-9-7-15(8-10-16)17(21)19-12-11-14(3)18/h7-10,14H,4-6,11-13,18H2,1-3H3,(H,19,21)
InChIKeyYHFBIOOPXZRSFO-UHFFFAOYSA-N
XLogP2.78
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-4-[butyl(ethyl)amino]benzamide
CID 120505281
N-(3-aminobutyl)-4-methylbenzamide;hydrochloride
CID 119497304
N-(3-amino-2-methylpropyl)-4-[ethyl(propyl)amino]benzamide
CID 119996678
4-[ethyl(propyl)amino]-N-[2-(methylamino)propyl]benzamide
CID 120829950
N-(3-aminobutyl)-4-methylsulfanylbenzamide
CID 54425720
1-N-(3-aminobutyl)-4-N-(2,2-dimethylpropyl)benzene-1,4-dicarboxamide
CID 119498465
4-(diethylamino)-N-(4-hydroxybutyl)benzamide
CID 106843290
N-(3,4-diaminodecyl)benzamide
CID 174528291
N-(2-acetamidoethyl)-4-(diethylamino)benzamide
CID 2481626
4-(2-aminopropyl)-N-butyl-N-ethylaniline
CID 63786093
2-amino-N-[3-(N-ethylanilino)propyl]pentanamide
CID 61260460
4-(diethylamino)-N-(3-methoxypropyl)benzamide
CID 17310827

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-4-[butyl(ethyl)amino]benzamide?
The IUPAC name of N-(3-aminobutyl)-4-[butyl(ethyl)amino]benzamide (CID 119495764) is N-(3-aminobutyl)-4-[butyl(ethyl)amino]benzamide.
What is the SMILES notation for N-(3-aminobutyl)-4-[butyl(ethyl)amino]benzamide?
The canonical SMILES for N-(3-aminobutyl)-4-[butyl(ethyl)amino]benzamide is CCCCN(CC)c1ccc(C(=O)NCCC(C)N)cc1.
What is the InChIKey of N-(3-aminobutyl)-4-[butyl(ethyl)amino]benzamide?
The InChIKey is YHFBIOOPXZRSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-6-13-20(5-2)16-9-7-15(8-10-16)17(21)19-12-11-14(3)18/h7-10,14H,4-6,11-13,18H2,1-3H3,(H,19,21).
What are the key properties of N-(3-aminobutyl)-4-[butyl(ethyl)amino]benzamide?
N-(3-aminobutyl)-4-[butyl(ethyl)amino]benzamide has a molecular weight of 291.44 g/mol, XLogP of 2.78, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-4-[butyl(ethyl)amino]benzamide is sourced from PubChem (CID 119495764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).