N-(2-aminoethyl)-2-(3-phenylbutanoylamino)benzamide

C19H23N3O2 — CID 120604234

IUPACN-(2-aminoethyl)-2-(3-phenylbutanoylamino)benzamide
SMILESCC(CC(=O)Nc1ccccc1C(=O)NCCN)c1ccccc1
InChIInChI=1S/C19H23N3O2/c1-14(15-7-3-2-4-8-15)13-18(23)22-17-10-6-5-9-16(17)19(24)21-12-11-20/h2-10,14H,11-13,20H2,1H3,(H,21,24)(H,22,23)
InChIKeyBTEKUTZJTVJAEQ-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.51
Rot. Bonds7

About N-(2-aminoethyl)-2-(3-phenylbutanoylamino)benzamide

N-(2-aminoethyl)-2-(3-phenylbutanoylamino)benzamide (PubChem CID 120604234) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(3-phenylbutanoylamino)benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(3-phenylbutanoylamino)benzamide
PubChem CID120604234
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-(2-aminoethyl)-2-(3-phenylbutanoylamino)benzamide
SMILESCC(CC(=O)Nc1ccccc1C(=O)NCCN)c1ccccc1
InChIInChI=1S/C19H23N3O2/c1-14(15-7-3-2-4-8-15)13-18(23)22-17-10-6-5-9-16(17)19(24)21-12-11-20/h2-10,14H,11-13,20H2,1H3,(H,21,24)(H,22,23)
InChIKeyBTEKUTZJTVJAEQ-UHFFFAOYSA-N
XLogP2.51
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-2-[3-(4-methoxyphenyl)butanoylamino]benzamide
CID 120603471
N-methyl-2-(3-phenylbutanoylamino)benzamide
CID 110606644
N-(2-aminoethyl)-2-(3,5-dimethylhexanoylamino)benzamide
CID 120603507
N-(3-ethoxypropyl)-2-(3-phenylbutanoylamino)benzamide
CID 17311962
N-(2-aminoethyl)-2-[3-[2-(trifluoromethyl)phenyl]butanoylamino]benzamide
CID 120604289
N-(2-aminoethyl)-2-[[2-[methyl(propan-2-yl)amino]acetyl]amino]benzamide;dihydrochloride
CID 120603824
N-(2-aminoethyl)-2-(4,4-dimethylpentanoylamino)benzamide
CID 120604437
(3R)-N-(2-methylphenyl)-3-phenylbutanamide
CID 7946569
N-(2-aminoethyl)-2-(but-3-enoylamino)benzamide
CID 106999671
2-(3-aminobutanoylamino)-N-(2-methoxyethyl)benzamide
CID 60836653
N-(2-aminoethyl)-2-[[2-(butanoylamino)acetyl]amino]benzamide
CID 120603546
N-(2-aminoethyl)-2-(4-benzamidobutanoylamino)benzamide
CID 120604009

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(3-phenylbutanoylamino)benzamide?
The IUPAC name of N-(2-aminoethyl)-2-(3-phenylbutanoylamino)benzamide (CID 120604234) is N-(2-aminoethyl)-2-(3-phenylbutanoylamino)benzamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(3-phenylbutanoylamino)benzamide?
The canonical SMILES for N-(2-aminoethyl)-2-(3-phenylbutanoylamino)benzamide is CC(CC(=O)Nc1ccccc1C(=O)NCCN)c1ccccc1.
What is the InChIKey of N-(2-aminoethyl)-2-(3-phenylbutanoylamino)benzamide?
The InChIKey is BTEKUTZJTVJAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14(15-7-3-2-4-8-15)13-18(23)22-17-10-6-5-9-16(17)19(24)21-12-11-20/h2-10,14H,11-13,20H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-(2-aminoethyl)-2-(3-phenylbutanoylamino)benzamide?
N-(2-aminoethyl)-2-(3-phenylbutanoylamino)benzamide has a molecular weight of 325.41 g/mol, XLogP of 2.51, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(3-phenylbutanoylamino)benzamide is sourced from PubChem (CID 120604234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).