1-[(1R,2R)-2-amino-1,2-diphenylethyl]-3-phenylurea

C21H21N3O — CID 100952143

IUPAC1-[(1R,2R)-2-amino-1,2-diphenylethyl]-3-phenylurea
SMILESN[C@H](c1ccccc1)[C@H](NC(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C21H21N3O/c22-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)24-21(25)23-18-14-8-3-9-15-18/h1-15,19-20H,22H2,(H2,23,24,25)/t19-,20-/m1/s1
InChIKeyDDXYRBTYHPWMPM-WOJBJXKFSA-N
MW331.42 g/mol
LogP4.25
Rot. Bonds5

About 1-[(1R,2R)-2-amino-1,2-diphenylethyl]-3-phenylurea

1-[(1R,2R)-2-amino-1,2-diphenylethyl]-3-phenylurea (PubChem CID 100952143) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-[(1R,2R)-2-amino-1,2-diphenylethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[(1R,2R)-2-amino-1,2-diphenylethyl]-3-phenylurea
PubChem CID100952143
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name1-[(1R,2R)-2-amino-1,2-diphenylethyl]-3-phenylurea
SMILESN[C@H](c1ccccc1)[C@H](NC(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C21H21N3O/c22-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)24-21(25)23-18-14-8-3-9-15-18/h1-15,19-20H,22H2,(H2,23,24,25)/t19-,20-/m1/s1
InChIKeyDDXYRBTYHPWMPM-WOJBJXKFSA-N
XLogP4.25
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R,2S)-2-amino-1,2-diphenylethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 57063171
1-[(1S)-2-methyl-1-phenylpropyl]-3-phenylurea
CID 27734199
1-(4-chlorophenyl)-3-[(1R,2R)-1,2-diphenyl-2-(phenylcarbamoylamino)ethyl]urea
CID 54084890
[2-[(4-chlorophenyl)carbamoylamino]-1,2-diphenylethyl]carbamic acid
CID 67780916
1-(2-amino-1,2-diphenylethyl)-3-(4-methylphenyl)thiourea
CID 170788068
2,2-diphenyl-N-[3-(phenylcarbamoylamino)phenyl]acetamide
CID 18293083
1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-phenylurea
CID 17480798
benzyl N-[(1S,2S)-2-amino-1,2-diphenylethyl]carbamate
CID 139989757
2-chloro-2-(phenylcarbamoylamino)acetamide
CID 151303607
N-[(1S,2S)-2-amino-1,2-diphenylethyl]pyridine-2-carboxamide
CID 102488759
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-phenylurea
CID 111450283
1-benzhydryl-3-(4-phenylphenyl)urea
CID 108867015

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-amino-1,2-diphenylethyl]-3-phenylurea?
The IUPAC name of 1-[(1R,2R)-2-amino-1,2-diphenylethyl]-3-phenylurea (CID 100952143) is 1-[(1R,2R)-2-amino-1,2-diphenylethyl]-3-phenylurea.
What is the SMILES notation for 1-[(1R,2R)-2-amino-1,2-diphenylethyl]-3-phenylurea?
The canonical SMILES for 1-[(1R,2R)-2-amino-1,2-diphenylethyl]-3-phenylurea is N[C@H](c1ccccc1)[C@H](NC(=O)Nc1ccccc1)c1ccccc1.
What is the InChIKey of 1-[(1R,2R)-2-amino-1,2-diphenylethyl]-3-phenylurea?
The InChIKey is DDXYRBTYHPWMPM-WOJBJXKFSA-N. The full InChI is InChI=1S/C21H21N3O/c22-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)24-21(25)23-18-14-8-3-9-15-18/h1-15,19-20H,22H2,(H2,23,24,25)/t19-,20-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-amino-1,2-diphenylethyl]-3-phenylurea?
1-[(1R,2R)-2-amino-1,2-diphenylethyl]-3-phenylurea has a molecular weight of 331.42 g/mol, XLogP of 4.25, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-amino-1,2-diphenylethyl]-3-phenylurea is sourced from PubChem (CID 100952143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).