2-(benzhydrylamino)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide

C20H25N3O2 — CID 8545632

IUPAC2-(benzhydrylamino)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide
SMILESCC[C@H](C)NC(=O)NC(=O)CNC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25N3O2/c1-3-15(2)22-20(25)23-18(24)14-21-19(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,19,21H,3,14H2,1-2H3,(H2,22,23,24,25)/t15-/m0/s1
InChIKeyYJNWFYWWDMMZAL-HNNXBMFYSA-N
MW339.44 g/mol
LogP2.99
Rot. Bonds7

About 2-(benzhydrylamino)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide

2-(benzhydrylamino)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide (PubChem CID 8545632) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-(benzhydrylamino)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide.

Molecular Properties

Compound Name2-(benzhydrylamino)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide
PubChem CID8545632
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-(benzhydrylamino)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide
SMILESCC[C@H](C)NC(=O)NC(=O)CNC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25N3O2/c1-3-15(2)22-20(25)23-18(24)14-21-19(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,19,21H,3,14H2,1-2H3,(H2,22,23,24,25)/t15-/m0/s1
InChIKeyYJNWFYWWDMMZAL-HNNXBMFYSA-N
XLogP2.99
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(2R)-butan-2-yl]carbamoyl]-2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetamide
CID 8720427
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 8897926
2-(butan-2-ylamino)-N-[(1S)-1-phenylethyl]acetamide
CID 63867528
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 7834280
2-(benzhydrylamino)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 7516085
N-[[(2S)-butan-2-yl]carbamoyl]-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide
CID 8992506
2-(benzhydrylamino)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 8596621
(2R)-2-[[(2S)-butan-2-yl]carbamoylamino]-N-methyl-2-phenylacetamide
CID 95320744
N-butan-2-yl-2-hydroxy-2-phenylacetamide
CID 60674876
(3R)-3-(benzhydrylamino)butanoic acid
CID 69229544
N-[[(2R)-butan-2-yl]carbamoyl]-2-(4-phenylphenoxy)acetamide
CID 7868582
N-(ethylcarbamoyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9132089

Frequently Asked Questions

What is the IUPAC name of 2-(benzhydrylamino)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide?
The IUPAC name of 2-(benzhydrylamino)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide (CID 8545632) is 2-(benzhydrylamino)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide.
What is the SMILES notation for 2-(benzhydrylamino)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide?
The canonical SMILES for 2-(benzhydrylamino)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide is CC[C@H](C)NC(=O)NC(=O)CNC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(benzhydrylamino)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide?
The InChIKey is YJNWFYWWDMMZAL-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-3-15(2)22-20(25)23-18(24)14-21-19(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,19,21H,3,14H2,1-2H3,(H2,22,23,24,25)/t15-/m0/s1.
What are the key properties of 2-(benzhydrylamino)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide?
2-(benzhydrylamino)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide has a molecular weight of 339.44 g/mol, XLogP of 2.99, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzhydrylamino)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide is sourced from PubChem (CID 8545632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).