N-(oxolan-2-ylmethyl)-4-[[2-(1-phenylethylamino)acetyl]amino]benzamide

C22H27N3O3 — CID 54815140

IUPACN-(oxolan-2-ylmethyl)-4-[[2-(1-phenylethylamino)acetyl]amino]benzamide
SMILESCC(NCC(=O)Nc1ccc(C(=O)NCC2CCCO2)cc1)c1ccccc1
InChIInChI=1S/C22H27N3O3/c1-16(17-6-3-2-4-7-17)23-15-21(26)25-19-11-9-18(10-12-19)22(27)24-14-20-8-5-13-28-20/h2-4,6-7,9-12,16,20,23H,5,8,13-15H2,1H3,(H,24,27)(H,25,26)
InChIKeyLWUKGAMNHKDOBA-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.88
Rot. Bonds8

About N-(oxolan-2-ylmethyl)-4-[[2-(1-phenylethylamino)acetyl]amino]benzamide

N-(oxolan-2-ylmethyl)-4-[[2-(1-phenylethylamino)acetyl]amino]benzamide (PubChem CID 54815140) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-4-[[2-(1-phenylethylamino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-4-[[2-(1-phenylethylamino)acetyl]amino]benzamide
PubChem CID54815140
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-(oxolan-2-ylmethyl)-4-[[2-(1-phenylethylamino)acetyl]amino]benzamide
SMILESCC(NCC(=O)Nc1ccc(C(=O)NCC2CCCO2)cc1)c1ccccc1
InChIInChI=1S/C22H27N3O3/c1-16(17-6-3-2-4-7-17)23-15-21(26)25-19-11-9-18(10-12-19)22(27)24-14-20-8-5-13-28-20/h2-4,6-7,9-12,16,20,23H,5,8,13-15H2,1H3,(H,24,27)(H,25,26)
InChIKeyLWUKGAMNHKDOBA-UHFFFAOYSA-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

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Related Compounds

N-[[(2R)-oxolan-2-yl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 42427521
4-[[2-(2,6-dimethylanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54818429
N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54837074
3-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54842128
4-(butanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 1292661
4-[[2-(3,5-dimethylanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54813138
4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 2969540
4-[[2-(cyclohexylamino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54816576
N-(oxolan-2-ylmethyl)-4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide
CID 54836568
N-(oxolan-2-ylmethyl)-3-(1-phenylethylamino)propanamide
CID 109015820
N-(oxolan-2-ylmethyl)-4-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide
CID 54811884
N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzamide
CID 54836830

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-4-[[2-(1-phenylethylamino)acetyl]amino]benzamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-4-[[2-(1-phenylethylamino)acetyl]amino]benzamide (CID 54815140) is N-(oxolan-2-ylmethyl)-4-[[2-(1-phenylethylamino)acetyl]amino]benzamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-4-[[2-(1-phenylethylamino)acetyl]amino]benzamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-4-[[2-(1-phenylethylamino)acetyl]amino]benzamide is CC(NCC(=O)Nc1ccc(C(=O)NCC2CCCO2)cc1)c1ccccc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-4-[[2-(1-phenylethylamino)acetyl]amino]benzamide?
The InChIKey is LWUKGAMNHKDOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-16(17-6-3-2-4-7-17)23-15-21(26)25-19-11-9-18(10-12-19)22(27)24-14-20-8-5-13-28-20/h2-4,6-7,9-12,16,20,23H,5,8,13-15H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-(oxolan-2-ylmethyl)-4-[[2-(1-phenylethylamino)acetyl]amino]benzamide?
N-(oxolan-2-ylmethyl)-4-[[2-(1-phenylethylamino)acetyl]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-(oxolan-2-ylmethyl)-4-[[2-(1-phenylethylamino)acetyl]amino]benzamide is sourced from PubChem (CID 54815140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).