N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-N-[(4-fluorophenyl)methyl]-3,3-diphenylpropanamide

C29H33FN2O2 — CID 132719702

IUPACN-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-N-[(4-fluorophenyl)methyl]-3,3-diphenylpropanamide
SMILESCCC(C)NC(=O)C(C)N(Cc1ccc(F)cc1)C(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H33FN2O2/c1-4-21(2)31-29(34)22(3)32(20-23-15-17-26(30)18-16-23)28(33)19-27(24-11-7-5-8-12-24)25-13-9-6-10-14-25/h5-18,21-22,27H,4,19-20H2,1-3H3,(H,31,34)
InChIKeyOZPZAQDZXJAKOO-UHFFFAOYSA-N
MW460.59 g/mol
LogP5.68
Rot. Bonds10

About N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-N-[(4-fluorophenyl)methyl]-3,3-diphenylpropanamide

N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-N-[(4-fluorophenyl)methyl]-3,3-diphenylpropanamide (PubChem CID 132719702) has the molecular formula C29H33FN2O2 and a molecular weight of 460.59 g/mol. Its IUPAC name is N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-N-[(4-fluorophenyl)methyl]-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-N-[(4-fluorophenyl)methyl]-3,3-diphenylpropanamide
PubChem CID132719702
Molecular FormulaC29H33FN2O2
Molecular Weight460.59 g/mol
Exact Mass460.25
IUPAC NameN-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-N-[(4-fluorophenyl)methyl]-3,3-diphenylpropanamide
SMILESCCC(C)NC(=O)C(C)N(Cc1ccc(F)cc1)C(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H33FN2O2/c1-4-21(2)31-29(34)22(3)32(20-23-15-17-26(30)18-16-23)28(33)19-27(24-11-7-5-8-12-24)25-13-9-6-10-14-25/h5-18,21-22,27H,4,19-20H2,1-3H3,(H,31,34)
InChIKeyOZPZAQDZXJAKOO-UHFFFAOYSA-N
XLogP5.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.59
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(2S)-butan-2-yl]-2-[(4-fluorophenyl)methyl-propanoylamino]propanamide
CID 100575272
(2R)-N-[(2S)-butan-2-yl]-2-[[2-(4-fluorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
CID 100575362
2-[[2-[N-(benzenesulfonyl)anilino]acetyl]-[(4-fluorophenyl)methyl]amino]-N-butan-2-ylpropanamide
CID 132732551
(2S)-N-[(2S)-butan-2-yl]-2-[(4-fluorophenyl)methyl-[2-(N-(4-fluorophenyl)sulfonylanilino)acetyl]amino]propanamide
CID 125070080
(2S)-N-[(2R)-butan-2-yl]-2-[(4-fluorophenyl)methyl-[2-(N-methylsulfonylanilino)acetyl]amino]propanamide
CID 125099136
N-[(2R)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]-3,3-diphenyl-N-(2-phenylethyl)propanamide
CID 100636510
(2R)-N-[(2R)-butan-2-yl]-2-[(4-fluorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide
CID 100574068
(2S)-N-[(2R)-butan-2-yl]-2-[3-(2-chlorophenyl)propanoyl-[(4-fluorophenyl)methyl]amino]propanamide
CID 100574362
(2S)-N-[(2R)-butan-2-yl]-2-[[2-(4-fluorophenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
CID 100575098
(2S)-N-[(2S)-butan-2-yl]-2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
CID 100572113
(2R)-N-[(2S)-butan-2-yl]-2-[3-(4-ethylphenyl)propanoyl-[(4-fluorophenyl)methyl]amino]propanamide
CID 100574041
(2R)-N-[(2R)-butan-2-yl]-2-[[2-(2,6-dichlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
CID 100575675

Frequently Asked Questions

What is the IUPAC name of N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-N-[(4-fluorophenyl)methyl]-3,3-diphenylpropanamide?
The IUPAC name of N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-N-[(4-fluorophenyl)methyl]-3,3-diphenylpropanamide (CID 132719702) is N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-N-[(4-fluorophenyl)methyl]-3,3-diphenylpropanamide.
What is the SMILES notation for N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-N-[(4-fluorophenyl)methyl]-3,3-diphenylpropanamide?
The canonical SMILES for N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-N-[(4-fluorophenyl)methyl]-3,3-diphenylpropanamide is CCC(C)NC(=O)C(C)N(Cc1ccc(F)cc1)C(=O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-N-[(4-fluorophenyl)methyl]-3,3-diphenylpropanamide?
The InChIKey is OZPZAQDZXJAKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33FN2O2/c1-4-21(2)31-29(34)22(3)32(20-23-15-17-26(30)18-16-23)28(33)19-27(24-11-7-5-8-12-24)25-13-9-6-10-14-25/h5-18,21-22,27H,4,19-20H2,1-3H3,(H,31,34).
What are the key properties of N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-N-[(4-fluorophenyl)methyl]-3,3-diphenylpropanamide?
N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-N-[(4-fluorophenyl)methyl]-3,3-diphenylpropanamide has a molecular weight of 460.59 g/mol, XLogP of 5.68, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-N-[(4-fluorophenyl)methyl]-3,3-diphenylpropanamide is sourced from PubChem (CID 132719702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).