benzhydryl-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]azanium

C23H25N2O2+ — CID 8545459

IUPACbenzhydryl-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]azanium
SMILESCOc1ccccc1NC(=O)[C@@H](C)[NH2+]C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24N2O2/c1-17(23(26)25-20-15-9-10-16-21(20)27-2)24-22(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-17,22,24H,1-2H3,(H,25,26)/p+1/t17-/m1/s1
InChIKeyITFMWEPQFUROGY-QGZVFWFLSA-O
MW361.47 g/mol
LogP3.38
Rot. Bonds7

About benzhydryl-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]azanium

benzhydryl-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]azanium (PubChem CID 8545459) has the molecular formula C23H25N2O2+ and a molecular weight of 361.47 g/mol. Its IUPAC name is benzhydryl-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]azanium.

Molecular Properties

Compound Namebenzhydryl-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]azanium
PubChem CID8545459
Molecular FormulaC23H25N2O2+
Molecular Weight361.47 g/mol
Exact Mass361.19
IUPAC Namebenzhydryl-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]azanium
SMILESCOc1ccccc1NC(=O)[C@@H](C)[NH2+]C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24N2O2/c1-17(23(26)25-20-15-9-10-16-21(20)27-2)24-22(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-17,22,24H,1-2H3,(H,25,26)/p+1/t17-/m1/s1
InChIKeyITFMWEPQFUROGY-QGZVFWFLSA-O
XLogP3.38
TPSA54.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze benzhydryl-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]azanium 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

[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 9391938
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
CID 9391931
[(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]azanium
CID 8755577
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 9051311
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 9051308
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9132433
benzhydryl-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]azanium
CID 2551581
[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium
CID 9050863
(2R)-2-bromo-N-(2-methoxyphenyl)propanamide
CID 737002
(2R)-2-chloro-N-(2-methoxyphenyl)propanamide
CID 2490730
2-[(2,2-diphenylacetyl)amino]-N-(2-methoxyphenyl)benzamide
CID 990917
1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870

Frequently Asked Questions

What is the IUPAC name of benzhydryl-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]azanium?
The IUPAC name of benzhydryl-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]azanium (CID 8545459) is benzhydryl-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]azanium.
What is the SMILES notation for benzhydryl-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]azanium?
The canonical SMILES for benzhydryl-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]azanium is COc1ccccc1NC(=O)[C@@H](C)[NH2+]C(c1ccccc1)c1ccccc1.
What is the InChIKey of benzhydryl-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]azanium?
The InChIKey is ITFMWEPQFUROGY-QGZVFWFLSA-O. The full InChI is InChI=1S/C23H24N2O2/c1-17(23(26)25-20-15-9-10-16-21(20)27-2)24-22(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-17,22,24H,1-2H3,(H,25,26)/p+1/t17-/m1/s1.
What are the key properties of benzhydryl-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]azanium?
benzhydryl-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]azanium has a molecular weight of 361.47 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]azanium is sourced from PubChem (CID 8545459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).