(2R)-2-[(4-bromophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]-N-(2-methylpropyl)propanamide

C23H29BrN2O2 — CID 100736725

IUPAC(2R)-2-[(4-bromophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]-N-(2-methylpropyl)propanamide
SMILESCc1ccccc1CC(=O)N(Cc1ccc(Br)cc1)[C@H](C)C(=O)NCC(C)C
InChIInChI=1S/C23H29BrN2O2/c1-16(2)14-25-23(28)18(4)26(15-19-9-11-21(24)12-10-19)22(27)13-20-8-6-5-7-17(20)3/h5-12,16,18H,13-15H2,1-4H3,(H,25,28)/t18-/m1/s1
InChIKeyOODNWKILGYWFPR-GOSISDBHSA-N
MW445.40 g/mol
LogP4.49
Rot. Bonds8

About (2R)-2-[(4-bromophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]-N-(2-methylpropyl)propanamide

(2R)-2-[(4-bromophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]-N-(2-methylpropyl)propanamide (PubChem CID 100736725) has the molecular formula C23H29BrN2O2 and a molecular weight of 445.40 g/mol. Its IUPAC name is (2R)-2-[(4-bromophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(4-bromophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]-N-(2-methylpropyl)propanamide
PubChem CID100736725
Molecular FormulaC23H29BrN2O2
Molecular Weight445.40 g/mol
Exact Mass444.14
IUPAC Name(2R)-2-[(4-bromophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]-N-(2-methylpropyl)propanamide
SMILESCc1ccccc1CC(=O)N(Cc1ccc(Br)cc1)[C@H](C)C(=O)NCC(C)C
InChIInChI=1S/C23H29BrN2O2/c1-16(2)14-25-23(28)18(4)26(15-19-9-11-21(24)12-10-19)22(27)13-20-8-6-5-7-17(20)3/h5-12,16,18H,13-15H2,1-4H3,(H,25,28)/t18-/m1/s1
InChIKeyOODNWKILGYWFPR-GOSISDBHSA-N
XLogP4.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.40
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-2-[(4-bromophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]-N-(2-methylpropyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[(4-bromophenyl)methyl-[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)propanamide
CID 100731392
2-[(4-bromophenyl)methyl-[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]-N-(2-methylpropyl)propanamide
CID 133211687
(2R)-2-[(4-bromophenyl)methyl-[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]-N-(2-methylpropyl)propanamide
CID 125088790
2-[(4-bromophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]-N-(2-methylpropyl)propanamide
CID 133211862
N-[(4-bromophenyl)methyl]-4-(2-methyl-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl]butanamide
CID 125078845
2-[(4-bromophenyl)methyl-[2-(2,3-dimethyl-N-methylsulfonylanilino)acetyl]amino]-N-(2-methylpropyl)propanamide
CID 133211717
2-[(4-bromophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-propan-2-ylpropanamide
CID 133195052
(2R)-2-[(4-bromophenyl)methyl-[2-[(4-bromophenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)propanamide
CID 100731615
(2S)-2-[(4-bromophenyl)methyl-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)propanamide
CID 100731435
(2R)-2-[(4-bromophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 100528777
(2R)-2-[(4-bromophenyl)methyl-[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide
CID 100734652
2-[[2-(2,5-dimethylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-(2-methylpropyl)propanamide
CID 132704387

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-bromophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]-N-(2-methylpropyl)propanamide?
The IUPAC name of (2R)-2-[(4-bromophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]-N-(2-methylpropyl)propanamide (CID 100736725) is (2R)-2-[(4-bromophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for (2R)-2-[(4-bromophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for (2R)-2-[(4-bromophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]-N-(2-methylpropyl)propanamide is Cc1ccccc1CC(=O)N(Cc1ccc(Br)cc1)[C@H](C)C(=O)NCC(C)C.
What is the InChIKey of (2R)-2-[(4-bromophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]-N-(2-methylpropyl)propanamide?
The InChIKey is OODNWKILGYWFPR-GOSISDBHSA-N. The full InChI is InChI=1S/C23H29BrN2O2/c1-16(2)14-25-23(28)18(4)26(15-19-9-11-21(24)12-10-19)22(27)13-20-8-6-5-7-17(20)3/h5-12,16,18H,13-15H2,1-4H3,(H,25,28)/t18-/m1/s1.
What are the key properties of (2R)-2-[(4-bromophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]-N-(2-methylpropyl)propanamide?
(2R)-2-[(4-bromophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]-N-(2-methylpropyl)propanamide has a molecular weight of 445.40 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-bromophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 100736725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).