2-[butanoyl(2-phenylethyl)amino]-N-propylbutanamide

C19H30N2O2 — CID 132650766

IUPAC2-[butanoyl(2-phenylethyl)amino]-N-propylbutanamide
SMILESCCCNC(=O)C(CC)N(CCc1ccccc1)C(=O)CCC
InChIInChI=1S/C19H30N2O2/c1-4-10-18(22)21(15-13-16-11-8-7-9-12-16)17(6-3)19(23)20-14-5-2/h7-9,11-12,17H,4-6,10,13-15H2,1-3H3,(H,20,23)
InChIKeyBKZYQKNPCUBGSO-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.16
Rot. Bonds10

About 2-[butanoyl(2-phenylethyl)amino]-N-propylbutanamide

2-[butanoyl(2-phenylethyl)amino]-N-propylbutanamide (PubChem CID 132650766) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-[butanoyl(2-phenylethyl)amino]-N-propylbutanamide.

Molecular Properties

Compound Name2-[butanoyl(2-phenylethyl)amino]-N-propylbutanamide
PubChem CID132650766
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name2-[butanoyl(2-phenylethyl)amino]-N-propylbutanamide
SMILESCCCNC(=O)C(CC)N(CCc1ccccc1)C(=O)CCC
InChIInChI=1S/C19H30N2O2/c1-4-10-18(22)21(15-13-16-11-8-7-9-12-16)17(6-3)19(23)20-14-5-2/h7-9,11-12,17H,4-6,10,13-15H2,1-3H3,(H,20,23)
InChIKeyBKZYQKNPCUBGSO-UHFFFAOYSA-N
XLogP3.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[3-naphthalen-1-ylpropanoyl(2-phenylethyl)amino]-N-propylbutanamide
CID 100637571
2-[3,3-diphenylpropanoyl(2-phenylethyl)amino]-N-propylbutanamide
CID 132675541
(2S)-2-[[2-(2-methylphenyl)acetyl]-(2-phenylethyl)amino]-N-propylbutanamide
CID 100638415
(2S)-2-[3-(4-methylphenyl)sulfanylpropanoyl-(2-phenylethyl)amino]-N-propylbutanamide
CID 100627070
N-(2-methylpropyl)-2-[2-phenylethyl(3-phenylpropanoyl)amino]butanamide
CID 132704439
(2R)-N-(2-methylpropyl)-2-[2-phenylethyl(3-phenylpropanoyl)amino]butanamide
CID 100509553
(2R)-2-[4-(4-chlorophenyl)sulfanylbutanoyl-(2-phenylethyl)amino]-N-propylbutanamide
CID 100637591
(2S)-2-[[2-(4-methylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propylbutanamide
CID 100637813
(2S)-2-[[2-(4-ethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propylbutanamide
CID 100635735
(2R)-2-[3-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoyl-(2-phenylethyl)amino]-N-propylbutanamide
CID 100635885
2-[benzyl(butanoyl)amino]-N-butylbutanamide
CID 132699427
N-ethyl-2-[(2-phenylacetyl)-(2-phenylethyl)amino]butanamide
CID 132653231

Frequently Asked Questions

What is the IUPAC name of 2-[butanoyl(2-phenylethyl)amino]-N-propylbutanamide?
The IUPAC name of 2-[butanoyl(2-phenylethyl)amino]-N-propylbutanamide (CID 132650766) is 2-[butanoyl(2-phenylethyl)amino]-N-propylbutanamide.
What is the SMILES notation for 2-[butanoyl(2-phenylethyl)amino]-N-propylbutanamide?
The canonical SMILES for 2-[butanoyl(2-phenylethyl)amino]-N-propylbutanamide is CCCNC(=O)C(CC)N(CCc1ccccc1)C(=O)CCC.
What is the InChIKey of 2-[butanoyl(2-phenylethyl)amino]-N-propylbutanamide?
The InChIKey is BKZYQKNPCUBGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-4-10-18(22)21(15-13-16-11-8-7-9-12-16)17(6-3)19(23)20-14-5-2/h7-9,11-12,17H,4-6,10,13-15H2,1-3H3,(H,20,23).
What are the key properties of 2-[butanoyl(2-phenylethyl)amino]-N-propylbutanamide?
2-[butanoyl(2-phenylethyl)amino]-N-propylbutanamide has a molecular weight of 318.46 g/mol, XLogP of 3.16, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butanoyl(2-phenylethyl)amino]-N-propylbutanamide is sourced from PubChem (CID 132650766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).