(2R)-2-(benzhydrylamino)-N-[2-(4-methoxyphenyl)ethyl]propanamide

C25H28N2O2 — CID 9445831

IUPAC(2R)-2-(benzhydrylamino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)[C@@H](C)NC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H28N2O2/c1-19(25(28)26-18-17-20-13-15-23(29-2)16-14-20)27-24(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,19,24,27H,17-18H2,1-2H3,(H,26,28)/t19-/m1/s1
InChIKeyXBFMUAVZOBEPLC-LJQANCHMSA-N
MW388.51 g/mol
LogP4.12
Rot. Bonds9

About (2R)-2-(benzhydrylamino)-N-[2-(4-methoxyphenyl)ethyl]propanamide

(2R)-2-(benzhydrylamino)-N-[2-(4-methoxyphenyl)ethyl]propanamide (PubChem CID 9445831) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is (2R)-2-(benzhydrylamino)-N-[2-(4-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(benzhydrylamino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
PubChem CID9445831
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name(2R)-2-(benzhydrylamino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)[C@@H](C)NC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H28N2O2/c1-19(25(28)26-18-17-20-13-15-23(29-2)16-14-20)27-24(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,19,24,27H,17-18H2,1-2H3,(H,26,28)/t19-/m1/s1
InChIKeyXBFMUAVZOBEPLC-LJQANCHMSA-N
XLogP4.12
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119673161
N-benzhydryl-4-(4-methoxyphenyl)butan-2-amine
CID 2846404
(2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 8755264
(2R)-2-hydroxy-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 175743514
3-(4-methoxyphenyl)-N-(2-phenylethyl)butanamide
CID 110297227
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)propanamide
CID 40640573
2-amino-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 24710031
N-(2-methoxyethyl)-2-[2-(4-methoxyphenyl)ethylamino]propanamide
CID 43087093
3-amino-N-[2-(4-methoxyphenyl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119948729
2-[acetyl(benzyl)amino]-N-[2-(4-methoxyphenyl)ethyl]-2-phenylacetamide
CID 133237038
(2S)-2-(benzhydrylamino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 9445893
N-(2-methoxyphenyl)-2-[[(4-methoxyphenyl)-phenylmethyl]amino]propanamide
CID 42918152

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(benzhydrylamino)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The IUPAC name of (2R)-2-(benzhydrylamino)-N-[2-(4-methoxyphenyl)ethyl]propanamide (CID 9445831) is (2R)-2-(benzhydrylamino)-N-[2-(4-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-(benzhydrylamino)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for (2R)-2-(benzhydrylamino)-N-[2-(4-methoxyphenyl)ethyl]propanamide is COc1ccc(CCNC(=O)[C@@H](C)NC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (2R)-2-(benzhydrylamino)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The InChIKey is XBFMUAVZOBEPLC-LJQANCHMSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-19(25(28)26-18-17-20-13-15-23(29-2)16-14-20)27-24(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,19,24,27H,17-18H2,1-2H3,(H,26,28)/t19-/m1/s1.
What are the key properties of (2R)-2-(benzhydrylamino)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
(2R)-2-(benzhydrylamino)-N-[2-(4-methoxyphenyl)ethyl]propanamide has a molecular weight of 388.51 g/mol, XLogP of 4.12, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(benzhydrylamino)-N-[2-(4-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 9445831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).