N-[(3-bromophenyl)methyl]-N-[1-oxo-1-(propylamino)propan-2-yl]-3,3-diphenylpropanamide

C28H31BrN2O2 — CID 132620263

IUPACN-[(3-bromophenyl)methyl]-N-[1-oxo-1-(propylamino)propan-2-yl]-3,3-diphenylpropanamide
SMILESCCCNC(=O)C(C)N(Cc1cccc(Br)c1)C(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H31BrN2O2/c1-3-17-30-28(33)21(2)31(20-22-11-10-16-25(29)18-22)27(32)19-26(23-12-6-4-7-13-23)24-14-8-5-9-15-24/h4-16,18,21,26H,3,17,19-20H2,1-2H3,(H,30,33)
InChIKeyTVYODBLBLAMIRW-UHFFFAOYSA-N
MW507.47 g/mol
LogP5.91
Rot. Bonds10

About N-[(3-bromophenyl)methyl]-N-[1-oxo-1-(propylamino)propan-2-yl]-3,3-diphenylpropanamide

N-[(3-bromophenyl)methyl]-N-[1-oxo-1-(propylamino)propan-2-yl]-3,3-diphenylpropanamide (PubChem CID 132620263) has the molecular formula C28H31BrN2O2 and a molecular weight of 507.47 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-N-[1-oxo-1-(propylamino)propan-2-yl]-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-N-[1-oxo-1-(propylamino)propan-2-yl]-3,3-diphenylpropanamide
PubChem CID132620263
Molecular FormulaC28H31BrN2O2
Molecular Weight507.47 g/mol
Exact Mass506.16
IUPAC NameN-[(3-bromophenyl)methyl]-N-[1-oxo-1-(propylamino)propan-2-yl]-3,3-diphenylpropanamide
SMILESCCCNC(=O)C(C)N(Cc1cccc(Br)c1)C(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H31BrN2O2/c1-3-17-30-28(33)21(2)31(20-22-11-10-16-25(29)18-22)27(32)19-26(23-12-6-4-7-13-23)24-14-8-5-9-15-24/h4-16,18,21,26H,3,17,19-20H2,1-2H3,(H,30,33)
InChIKeyTVYODBLBLAMIRW-UHFFFAOYSA-N
XLogP5.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.47
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-bromophenyl)methyl-[2-(2,6-dichlorophenyl)acetyl]amino]-N-propylpropanamide
CID 132617552
2-[[2-(4-bromophenoxy)acetyl]-[(3-bromophenyl)methyl]amino]-N-propylpropanamide
CID 132620937
N-[(2,6-dichlorophenyl)methyl]-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-3,3-diphenylpropanamide
CID 100514927
2-[(3-bromophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-N-propylpropanamide
CID 132612456
(2S)-2-[(3-bromophenyl)methyl-(3-phenylsulfanylpropanoyl)amino]-N-butylpropanamide
CID 100565597
N-[(3-bromophenyl)methyl]-N-[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]butanamide
CID 100730996
2-[(3-bromophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-propylpropanamide
CID 132617171
2-[[2-[N-(benzenesulfonyl)-3,5-dichloroanilino]acetyl]-[(3-bromophenyl)methyl]amino]-N-propylpropanamide
CID 132642344
(2S)-2-[(3-bromophenyl)methyl-propanoylamino]-N-(2-methylpropyl)propanamide
CID 100730978
2-[(2-benzylsulfanylacetyl)-[(3-bromophenyl)methyl]amino]-N-ethylpropanamide
CID 132612720
2-[(3-bromophenyl)methyl-(3-phenylpropanoyl)amino]-N-(2-methylpropyl)propanamide
CID 133211272
N-[(3-bromophenyl)methyl]-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]butanamide
CID 100645014

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-N-[1-oxo-1-(propylamino)propan-2-yl]-3,3-diphenylpropanamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-N-[1-oxo-1-(propylamino)propan-2-yl]-3,3-diphenylpropanamide (CID 132620263) is N-[(3-bromophenyl)methyl]-N-[1-oxo-1-(propylamino)propan-2-yl]-3,3-diphenylpropanamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-N-[1-oxo-1-(propylamino)propan-2-yl]-3,3-diphenylpropanamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-N-[1-oxo-1-(propylamino)propan-2-yl]-3,3-diphenylpropanamide is CCCNC(=O)C(C)N(Cc1cccc(Br)c1)C(=O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-N-[1-oxo-1-(propylamino)propan-2-yl]-3,3-diphenylpropanamide?
The InChIKey is TVYODBLBLAMIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31BrN2O2/c1-3-17-30-28(33)21(2)31(20-22-11-10-16-25(29)18-22)27(32)19-26(23-12-6-4-7-13-23)24-14-8-5-9-15-24/h4-16,18,21,26H,3,17,19-20H2,1-2H3,(H,30,33).
What are the key properties of N-[(3-bromophenyl)methyl]-N-[1-oxo-1-(propylamino)propan-2-yl]-3,3-diphenylpropanamide?
N-[(3-bromophenyl)methyl]-N-[1-oxo-1-(propylamino)propan-2-yl]-3,3-diphenylpropanamide has a molecular weight of 507.47 g/mol, XLogP of 5.91, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-N-[1-oxo-1-(propylamino)propan-2-yl]-3,3-diphenylpropanamide is sourced from PubChem (CID 132620263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).