(2R)-2-[[(2S)-butan-2-yl]carbamoylamino]-N-methyl-2-phenylacetamide

C14H21N3O2 — CID 95320744

IUPAC(2R)-2-[[(2S)-butan-2-yl]carbamoylamino]-N-methyl-2-phenylacetamide
SMILESCC[C@H](C)NC(=O)N[C@@H](C(=O)NC)c1ccccc1
InChIInChI=1S/C14H21N3O2/c1-4-10(2)16-14(19)17-12(13(18)15-3)11-8-6-5-7-9-11/h5-10,12H,4H2,1-3H3,(H,15,18)(H2,16,17,19)/t10-,12+/m0/s1
InChIKeyKWGSBJFPIAMWEF-CMPLNLGQSA-N
MW263.34 g/mol
LogP1.57
Rot. Bonds5

About (2R)-2-[[(2S)-butan-2-yl]carbamoylamino]-N-methyl-2-phenylacetamide

(2R)-2-[[(2S)-butan-2-yl]carbamoylamino]-N-methyl-2-phenylacetamide (PubChem CID 95320744) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is (2R)-2-[[(2S)-butan-2-yl]carbamoylamino]-N-methyl-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[[(2S)-butan-2-yl]carbamoylamino]-N-methyl-2-phenylacetamide
PubChem CID95320744
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name(2R)-2-[[(2S)-butan-2-yl]carbamoylamino]-N-methyl-2-phenylacetamide
SMILESCC[C@H](C)NC(=O)N[C@@H](C(=O)NC)c1ccccc1
InChIInChI=1S/C14H21N3O2/c1-4-10(2)16-14(19)17-12(13(18)15-3)11-8-6-5-7-9-11/h5-10,12H,4H2,1-3H3,(H,15,18)(H2,16,17,19)/t10-,12+/m0/s1
InChIKeyKWGSBJFPIAMWEF-CMPLNLGQSA-N
XLogP1.57
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-phenyl-2-(propan-2-ylcarbamoylamino)acetamide
CID 47075853
(2S)-2-(pentan-2-ylcarbamoylamino)-2-phenylacetic acid
CID 113363099
1-butan-2-yl-3-(2-morpholin-4-yl-2-oxo-1-phenylethyl)urea
CID 110626175
N-butan-2-yl-2,2-diphenylacetamide
CID 3094060
2-[[1-(butan-2-ylamino)-1-oxopropan-2-yl]amino]-2-phenylacetic acid
CID 62109350
N-methyl-2-(methylamino)-2-phenylacetamide
CID 3738076
N-butan-2-yl-2-hydroxy-2-phenylacetamide
CID 60674876
2-(5-methylhexan-2-ylcarbamoylamino)-2-phenylacetic acid
CID 63927354
(2R)-2-(3-methylpentan-2-ylcarbamoylamino)-2-phenylacetic acid
CID 61465982
2-(benzhydrylamino)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide
CID 8545632
(2S)-2-(1-ethoxypropan-2-ylcarbamoylamino)-2-phenylacetic acid
CID 103998243
2-(cyclohexylcarbamoylamino)-N-methyl-2-phenylacetamide
CID 47075852

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2S)-butan-2-yl]carbamoylamino]-N-methyl-2-phenylacetamide?
The IUPAC name of (2R)-2-[[(2S)-butan-2-yl]carbamoylamino]-N-methyl-2-phenylacetamide (CID 95320744) is (2R)-2-[[(2S)-butan-2-yl]carbamoylamino]-N-methyl-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[[(2S)-butan-2-yl]carbamoylamino]-N-methyl-2-phenylacetamide?
The canonical SMILES for (2R)-2-[[(2S)-butan-2-yl]carbamoylamino]-N-methyl-2-phenylacetamide is CC[C@H](C)NC(=O)N[C@@H](C(=O)NC)c1ccccc1.
What is the InChIKey of (2R)-2-[[(2S)-butan-2-yl]carbamoylamino]-N-methyl-2-phenylacetamide?
The InChIKey is KWGSBJFPIAMWEF-CMPLNLGQSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-4-10(2)16-14(19)17-12(13(18)15-3)11-8-6-5-7-9-11/h5-10,12H,4H2,1-3H3,(H,15,18)(H2,16,17,19)/t10-,12+/m0/s1.
What are the key properties of (2R)-2-[[(2S)-butan-2-yl]carbamoylamino]-N-methyl-2-phenylacetamide?
(2R)-2-[[(2S)-butan-2-yl]carbamoylamino]-N-methyl-2-phenylacetamide has a molecular weight of 263.34 g/mol, XLogP of 1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2S)-butan-2-yl]carbamoylamino]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 95320744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).