2-[[(2R)-2-(2-chlorophenyl)-2-(phenylcarbamoylamino)acetyl]amino]-3-methyl-2-phenylbutanamide

C26H27ClN4O3 — CID 70274024

IUPAC2-[[(2R)-2-(2-chlorophenyl)-2-(phenylcarbamoylamino)acetyl]amino]-3-methyl-2-phenylbutanamide
SMILESCC(C)C(NC(=O)[C@H](NC(=O)Nc1ccccc1)c1ccccc1Cl)(C(N)=O)c1ccccc1
InChIInChI=1S/C26H27ClN4O3/c1-17(2)26(24(28)33,18-11-5-3-6-12-18)31-23(32)22(20-15-9-10-16-21(20)27)30-25(34)29-19-13-7-4-8-14-19/h3-17,22H,1-2H3,(H2,28,33)(H,31,32)(H2,29,30,34)/t22-,26?/m1/s1
InChIKeyKYFCNEYBJZKRLK-FPSALIRRSA-N
MW478.98 g/mol
LogP4.36
Rot. Bonds8

About 2-[[(2R)-2-(2-chlorophenyl)-2-(phenylcarbamoylamino)acetyl]amino]-3-methyl-2-phenylbutanamide

2-[[(2R)-2-(2-chlorophenyl)-2-(phenylcarbamoylamino)acetyl]amino]-3-methyl-2-phenylbutanamide (PubChem CID 70274024) has the molecular formula C26H27ClN4O3 and a molecular weight of 478.98 g/mol. Its IUPAC name is 2-[[(2R)-2-(2-chlorophenyl)-2-(phenylcarbamoylamino)acetyl]amino]-3-methyl-2-phenylbutanamide.

Molecular Properties

Compound Name2-[[(2R)-2-(2-chlorophenyl)-2-(phenylcarbamoylamino)acetyl]amino]-3-methyl-2-phenylbutanamide
PubChem CID70274024
Molecular FormulaC26H27ClN4O3
Molecular Weight478.98 g/mol
Exact Mass478.18
IUPAC Name2-[[(2R)-2-(2-chlorophenyl)-2-(phenylcarbamoylamino)acetyl]amino]-3-methyl-2-phenylbutanamide
SMILESCC(C)C(NC(=O)[C@H](NC(=O)Nc1ccccc1)c1ccccc1Cl)(C(N)=O)c1ccccc1
InChIInChI=1S/C26H27ClN4O3/c1-17(2)26(24(28)33,18-11-5-3-6-12-18)31-23(32)22(20-15-9-10-16-21(20)27)30-25(34)29-19-13-7-4-8-14-19/h3-17,22H,1-2H3,(H2,28,33)(H,31,32)(H2,29,30,34)/t22-,26?/m1/s1
InChIKeyKYFCNEYBJZKRLK-FPSALIRRSA-N
XLogP4.36
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.98
LogP ≤ 54.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-anilino-3-methyl-2-phenylbutanamide
CID 60996428
2-(2-chlorophenyl)-2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2,2-dimethylhydrazinyl)phenyl]acetamide
CID 90739094
(2R)-2-(2-chlorophenyl)-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]acetic acid
CID 107316028
N-(1-amino-3-methyl-1-oxo-2-phenylbutan-2-yl)-2-hydroxybenzamide
CID 150830185
(2R)-2-(2-chlorophenyl)-2-(thiophen-3-ylcarbamoylamino)acetic acid
CID 107316089
(2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-(2-chlorophenyl)acetic acid
CID 107315217
2-(4-fluoroanilino)-3-methyl-2-phenylbutanamide
CID 60997141
(2R)-2-(2-chlorophenyl)-2-(2-methylbut-3-yn-2-ylcarbamoylamino)acetic acid
CID 107316075
(2-chlorophenyl)methyl (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7617147
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(phenylcarbamoylamino)propanamide
CID 119598761
2-(cyclopropylamino)-3-methyl-2-phenylbutanamide
CID 60872947
1-[1-(2-aminophenyl)ethyl]-3-(4-chlorophenyl)urea
CID 43298111

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(2-chlorophenyl)-2-(phenylcarbamoylamino)acetyl]amino]-3-methyl-2-phenylbutanamide?
The IUPAC name of 2-[[(2R)-2-(2-chlorophenyl)-2-(phenylcarbamoylamino)acetyl]amino]-3-methyl-2-phenylbutanamide (CID 70274024) is 2-[[(2R)-2-(2-chlorophenyl)-2-(phenylcarbamoylamino)acetyl]amino]-3-methyl-2-phenylbutanamide.
What is the SMILES notation for 2-[[(2R)-2-(2-chlorophenyl)-2-(phenylcarbamoylamino)acetyl]amino]-3-methyl-2-phenylbutanamide?
The canonical SMILES for 2-[[(2R)-2-(2-chlorophenyl)-2-(phenylcarbamoylamino)acetyl]amino]-3-methyl-2-phenylbutanamide is CC(C)C(NC(=O)[C@H](NC(=O)Nc1ccccc1)c1ccccc1Cl)(C(N)=O)c1ccccc1.
What is the InChIKey of 2-[[(2R)-2-(2-chlorophenyl)-2-(phenylcarbamoylamino)acetyl]amino]-3-methyl-2-phenylbutanamide?
The InChIKey is KYFCNEYBJZKRLK-FPSALIRRSA-N. The full InChI is InChI=1S/C26H27ClN4O3/c1-17(2)26(24(28)33,18-11-5-3-6-12-18)31-23(32)22(20-15-9-10-16-21(20)27)30-25(34)29-19-13-7-4-8-14-19/h3-17,22H,1-2H3,(H2,28,33)(H,31,32)(H2,29,30,34)/t22-,26?/m1/s1.
What are the key properties of 2-[[(2R)-2-(2-chlorophenyl)-2-(phenylcarbamoylamino)acetyl]amino]-3-methyl-2-phenylbutanamide?
2-[[(2R)-2-(2-chlorophenyl)-2-(phenylcarbamoylamino)acetyl]amino]-3-methyl-2-phenylbutanamide has a molecular weight of 478.98 g/mol, XLogP of 4.36, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-(2-chlorophenyl)-2-(phenylcarbamoylamino)acetyl]amino]-3-methyl-2-phenylbutanamide is sourced from PubChem (CID 70274024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).