propan-2-yl (2R)-2-[(4-propan-2-ylphenyl)carbamoylamino]propanoate

C16H24N2O3 — CID 75393700

IUPACpropan-2-yl (2R)-2-[(4-propan-2-ylphenyl)carbamoylamino]propanoate
SMILESCC(C)OC(=O)[C@@H](C)NC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C16H24N2O3/c1-10(2)13-6-8-14(9-7-13)18-16(20)17-12(5)15(19)21-11(3)4/h6-12H,1-5H3,(H2,17,18,20)/t12-/m1/s1
InChIKeySQCRAWDQRGDCLW-GFCCVEGCSA-N
MW292.38 g/mol
LogP3.27
Rot. Bonds5

About propan-2-yl (2R)-2-[(4-propan-2-ylphenyl)carbamoylamino]propanoate

propan-2-yl (2R)-2-[(4-propan-2-ylphenyl)carbamoylamino]propanoate (PubChem CID 75393700) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is propan-2-yl (2R)-2-[(4-propan-2-ylphenyl)carbamoylamino]propanoate.

Molecular Properties

Compound Namepropan-2-yl (2R)-2-[(4-propan-2-ylphenyl)carbamoylamino]propanoate
PubChem CID75393700
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Namepropan-2-yl (2R)-2-[(4-propan-2-ylphenyl)carbamoylamino]propanoate
SMILESCC(C)OC(=O)[C@@H](C)NC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C16H24N2O3/c1-10(2)13-6-8-14(9-7-13)18-16(20)17-12(5)15(19)21-11(3)4/h6-12H,1-5H3,(H2,17,18,20)/t12-/m1/s1
InChIKeySQCRAWDQRGDCLW-GFCCVEGCSA-N
XLogP3.27
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate
CID 8887538
1-methoxy-3-(4-propan-2-ylphenyl)urea
CID 134178123
methyl (2R,3S)-3-methyl-2-[(4-propan-2-ylphenyl)carbamoylamino]pentanoate
CID 7678082
1-(4-propan-2-ylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
CID 55696372
methyl (2S,3R)-3-methyl-2-[(4-propan-2-ylphenyl)carbamoylamino]pentanoate
CID 945899
methyl 2-[(4-carbamoylphenyl)carbamoylamino]propanoate
CID 70407448
(2R)-3-methyl-2-[(4-propan-2-ylphenyl)carbamoylamino]butanoic acid
CID 51553917
N-propan-2-yl-4-[(4-propan-2-ylphenyl)carbamoylamino]benzamide
CID 17180586
2-[(4-aminophenyl)carbamoylamino]propanamide
CID 43545745
tert-butyl (2R)-2-[(4-chlorophenyl)carbamoylamino]propanoate
CID 80979261
2-(carbamoylamino)-N-(4-propan-2-ylphenyl)propanamide
CID 24641052
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2R)-2-[(4-propan-2-ylphenyl)carbamoylamino]propanoate?
The IUPAC name of propan-2-yl (2R)-2-[(4-propan-2-ylphenyl)carbamoylamino]propanoate (CID 75393700) is propan-2-yl (2R)-2-[(4-propan-2-ylphenyl)carbamoylamino]propanoate.
What is the SMILES notation for propan-2-yl (2R)-2-[(4-propan-2-ylphenyl)carbamoylamino]propanoate?
The canonical SMILES for propan-2-yl (2R)-2-[(4-propan-2-ylphenyl)carbamoylamino]propanoate is CC(C)OC(=O)[C@@H](C)NC(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of propan-2-yl (2R)-2-[(4-propan-2-ylphenyl)carbamoylamino]propanoate?
The InChIKey is SQCRAWDQRGDCLW-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-10(2)13-6-8-14(9-7-13)18-16(20)17-12(5)15(19)21-11(3)4/h6-12H,1-5H3,(H2,17,18,20)/t12-/m1/s1.
What are the key properties of propan-2-yl (2R)-2-[(4-propan-2-ylphenyl)carbamoylamino]propanoate?
propan-2-yl (2R)-2-[(4-propan-2-ylphenyl)carbamoylamino]propanoate has a molecular weight of 292.38 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2R)-2-[(4-propan-2-ylphenyl)carbamoylamino]propanoate is sourced from PubChem (CID 75393700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).