1-[(1S)-2-methyl-1-phenylpropyl]-3-phenylurea

C17H20N2O — CID 27734199

IUPAC1-[(1S)-2-methyl-1-phenylpropyl]-3-phenylurea
SMILESCC(C)[C@H](NC(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C17H20N2O/c1-13(2)16(14-9-5-3-6-10-14)19-17(20)18-15-11-7-4-8-12-15/h3-13,16H,1-2H3,(H2,18,19,20)/t16-/m0/s1
InChIKeyLDFBMLPZZGPWFG-INIZCTEOSA-N
MW268.36 g/mol
LogP4.21
Rot. Bonds4

About 1-[(1S)-2-methyl-1-phenylpropyl]-3-phenylurea

1-[(1S)-2-methyl-1-phenylpropyl]-3-phenylurea (PubChem CID 27734199) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[(1S)-2-methyl-1-phenylpropyl]-3-phenylurea.

Molecular Properties

Compound Name1-[(1S)-2-methyl-1-phenylpropyl]-3-phenylurea
PubChem CID27734199
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-[(1S)-2-methyl-1-phenylpropyl]-3-phenylurea
SMILESCC(C)[C@H](NC(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C17H20N2O/c1-13(2)16(14-9-5-3-6-10-14)19-17(20)18-15-11-7-4-8-12-15/h3-13,16H,1-2H3,(H2,18,19,20)/t16-/m0/s1
InChIKeyLDFBMLPZZGPWFG-INIZCTEOSA-N
XLogP4.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-phenylurea
CID 17480798
1-[(1R,2R)-2-amino-1,2-diphenylethyl]-3-phenylurea
CID 100952143
1-(4-chlorophenyl)-3-[(1R,2R)-1,2-diphenyl-2-(phenylcarbamoylamino)ethyl]urea
CID 54084890
1-(2-methyl-1-phenylpropyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 47194232
[2-[(4-chlorophenyl)carbamoylamino]-1,2-diphenylethyl]carbamic acid
CID 67780916
2-chloro-N-(2-methyl-1-phenylpropyl)propanamide
CID 43346667
N-[4-methoxy-3-[(2-methyl-1-phenylpropyl)carbamoylamino]phenyl]acetamide
CID 47033000
2-bromo-N-(2-methyl-1-phenylpropyl)acetamide
CID 10492239
1-(1-aminopropan-2-yl)-3-phenylurea
CID 23364218
1-(4-hydroxybutan-2-yl)-3-phenylurea
CID 78998445
(2R)-2-amino-N-(2-methyl-1-phenylpropyl)propanamide;hydrochloride
CID 119273389
N-[4-(benzhydrylcarbamoylamino)phenyl]acetamide
CID 108867378

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-methyl-1-phenylpropyl]-3-phenylurea?
The IUPAC name of 1-[(1S)-2-methyl-1-phenylpropyl]-3-phenylurea (CID 27734199) is 1-[(1S)-2-methyl-1-phenylpropyl]-3-phenylurea.
What is the SMILES notation for 1-[(1S)-2-methyl-1-phenylpropyl]-3-phenylurea?
The canonical SMILES for 1-[(1S)-2-methyl-1-phenylpropyl]-3-phenylurea is CC(C)[C@H](NC(=O)Nc1ccccc1)c1ccccc1.
What is the InChIKey of 1-[(1S)-2-methyl-1-phenylpropyl]-3-phenylurea?
The InChIKey is LDFBMLPZZGPWFG-INIZCTEOSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13(2)16(14-9-5-3-6-10-14)19-17(20)18-15-11-7-4-8-12-15/h3-13,16H,1-2H3,(H2,18,19,20)/t16-/m0/s1.
What are the key properties of 1-[(1S)-2-methyl-1-phenylpropyl]-3-phenylurea?
1-[(1S)-2-methyl-1-phenylpropyl]-3-phenylurea has a molecular weight of 268.36 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-methyl-1-phenylpropyl]-3-phenylurea is sourced from PubChem (CID 27734199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).