N-[[(2R)-oxolan-2-yl]methyl]-2-[[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]benzamide

C22H27N3O3 — CID 25383704

IUPACN-[[(2R)-oxolan-2-yl]methyl]-2-[[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]benzamide
SMILESC[C@@H](NC(=O)CNc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccccc1
InChIInChI=1S/C22H27N3O3/c1-16(17-8-3-2-4-9-17)25-21(26)15-23-20-12-6-5-11-19(20)22(27)24-14-18-10-7-13-28-18/h2-6,8-9,11-12,16,18,23H,7,10,13-15H2,1H3,(H,24,27)(H,25,26)/t16-,18-/m1/s1
InChIKeyDYCOQUKATNLUHS-SJLPKXTDSA-N
MW381.48 g/mol
LogP2.88
Rot. Bonds8

About N-[[(2R)-oxolan-2-yl]methyl]-2-[[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]benzamide

N-[[(2R)-oxolan-2-yl]methyl]-2-[[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]benzamide (PubChem CID 25383704) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[[(2R)-oxolan-2-yl]methyl]-2-[[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]benzamide.

Molecular Properties

Compound NameN-[[(2R)-oxolan-2-yl]methyl]-2-[[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]benzamide
PubChem CID25383704
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[[(2R)-oxolan-2-yl]methyl]-2-[[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]benzamide
SMILESC[C@@H](NC(=O)CNc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccccc1
InChIInChI=1S/C22H27N3O3/c1-16(17-8-3-2-4-9-17)25-21(26)15-23-20-12-6-5-11-19(20)22(27)24-14-18-10-7-13-28-18/h2-6,8-9,11-12,16,18,23H,7,10,13-15H2,1H3,(H,24,27)(H,25,26)/t16-,18-/m1/s1
InChIKeyDYCOQUKATNLUHS-SJLPKXTDSA-N
XLogP2.88
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[[(2R)-oxolan-2-yl]methyl]-2-[[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]benzamide with MolForge

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Related Compounds

N-[[(2S)-oxolan-2-yl]methyl]-2-[[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]amino]benzamide
CID 25383699
2-[[2-(cyclopentylamino)-2-oxoethyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 41084647
N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzamide
CID 54836830
2-(3,3-diphenylpropanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 41168092
2-methyl-3-oxo-3-[2-(oxolan-2-ylmethylcarbamoyl)anilino]propanoic acid
CID 154795586
N-[[(2S)-oxolan-2-yl]methyl]-2-[[2-oxo-2-(2-phenoxyanilino)ethyl]amino]benzamide
CID 41210911
2-anilino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 29238764
2-[[(2R)-2-chloropropanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 92660378
3-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54842128
N-(oxolan-2-ylmethyl)-4-[[2-(1-phenylethylamino)acetyl]amino]benzamide
CID 54815140
N-(oxolan-2-ylmethyl)-3-(1-phenylethylamino)propanamide
CID 109015820
2-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]benzoic acid
CID 7471264

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-2-[[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]benzamide?
The IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-2-[[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]benzamide (CID 25383704) is N-[[(2R)-oxolan-2-yl]methyl]-2-[[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]benzamide.
What is the SMILES notation for N-[[(2R)-oxolan-2-yl]methyl]-2-[[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]benzamide?
The canonical SMILES for N-[[(2R)-oxolan-2-yl]methyl]-2-[[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]benzamide is C[C@@H](NC(=O)CNc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccccc1.
What is the InChIKey of N-[[(2R)-oxolan-2-yl]methyl]-2-[[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]benzamide?
The InChIKey is DYCOQUKATNLUHS-SJLPKXTDSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-16(17-8-3-2-4-9-17)25-21(26)15-23-20-12-6-5-11-19(20)22(27)24-14-18-10-7-13-28-18/h2-6,8-9,11-12,16,18,23H,7,10,13-15H2,1H3,(H,24,27)(H,25,26)/t16-,18-/m1/s1.
What are the key properties of N-[[(2R)-oxolan-2-yl]methyl]-2-[[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]benzamide?
N-[[(2R)-oxolan-2-yl]methyl]-2-[[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]benzamide has a molecular weight of 381.48 g/mol, XLogP of 2.88, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-oxolan-2-yl]methyl]-2-[[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]benzamide is sourced from PubChem (CID 25383704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).