N-butan-2-yl-2-[[2-(4-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide

C25H34N2O2 — CID 132704460

IUPACN-butan-2-yl-2-[[2-(4-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide
SMILESCCC(C)NC(=O)C(CC)N(CCc1ccccc1)C(=O)Cc1ccc(C)cc1
InChIInChI=1S/C25H34N2O2/c1-5-20(4)26-25(29)23(6-2)27(17-16-21-10-8-7-9-11-21)24(28)18-22-14-12-19(3)13-15-22/h7-15,20,23H,5-6,16-18H2,1-4H3,(H,26,29)
InChIKeyJCIDOOAQQSHHTO-UHFFFAOYSA-N
MW394.56 g/mol
LogP4.30
Rot. Bonds10

About N-butan-2-yl-2-[[2-(4-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide

N-butan-2-yl-2-[[2-(4-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide (PubChem CID 132704460) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is N-butan-2-yl-2-[[2-(4-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[[2-(4-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide
PubChem CID132704460
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC NameN-butan-2-yl-2-[[2-(4-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide
SMILESCCC(C)NC(=O)C(CC)N(CCc1ccccc1)C(=O)Cc1ccc(C)cc1
InChIInChI=1S/C25H34N2O2/c1-5-20(4)26-25(29)23(6-2)27(17-16-21-10-8-7-9-11-21)24(28)18-22-14-12-19(3)13-15-22/h7-15,20,23H,5-6,16-18H2,1-4H3,(H,26,29)
InChIKeyJCIDOOAQQSHHTO-UHFFFAOYSA-N
XLogP4.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[benzyl-(2-phenylacetyl)amino]-N-butan-2-ylbutanamide
CID 132701684
2-[[2-(3-methylphenyl)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylbutanamide
CID 132702829
N-ethyl-2-[(2-phenylacetyl)-(2-phenylethyl)amino]butanamide
CID 132653231
(2R)-2-[benzyl-[2-(4-methylphenyl)acetyl]amino]-N-[(2R)-butan-2-yl]propanamide
CID 100521800
(2S)-2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-[(2R)-butan-2-yl]butanamide
CID 100647914
(2S)-2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-[(2S)-butan-2-yl]butanamide
CID 100647928
(2S)-N-[(2R)-butan-2-yl]-2-[[2-(2-methylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide
CID 100687714
(2S)-N-[(2R)-butan-2-yl]-2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]butanamide
CID 100698696
(2R)-N-[(2R)-butan-2-yl]-2-[[2-(4-chlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide
CID 100683112
(2R)-N-[(2S)-butan-2-yl]-2-[[2-(4-methoxyphenyl)acetyl]-(2-phenylethyl)amino]propanamide
CID 100637034
N-butan-2-yl-2-[(4-fluorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-3-phenylpropanamide
CID 133228347
2-[3-(4-methylphenyl)sulfanylpropanoyl-(2-phenylethyl)amino]-N-propan-2-ylbutanamide
CID 132710578

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[[2-(4-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide?
The IUPAC name of N-butan-2-yl-2-[[2-(4-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide (CID 132704460) is N-butan-2-yl-2-[[2-(4-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide.
What is the SMILES notation for N-butan-2-yl-2-[[2-(4-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide?
The canonical SMILES for N-butan-2-yl-2-[[2-(4-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide is CCC(C)NC(=O)C(CC)N(CCc1ccccc1)C(=O)Cc1ccc(C)cc1.
What is the InChIKey of N-butan-2-yl-2-[[2-(4-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide?
The InChIKey is JCIDOOAQQSHHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-5-20(4)26-25(29)23(6-2)27(17-16-21-10-8-7-9-11-21)24(28)18-22-14-12-19(3)13-15-22/h7-15,20,23H,5-6,16-18H2,1-4H3,(H,26,29).
What are the key properties of N-butan-2-yl-2-[[2-(4-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide?
N-butan-2-yl-2-[[2-(4-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide has a molecular weight of 394.56 g/mol, XLogP of 4.30, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[[2-(4-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide is sourced from PubChem (CID 132704460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).