N-ethyl-3-[[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]amino]benzamide

C24H33N3O2 — CID 8923917

IUPACN-ethyl-3-[[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]amino]benzamide
SMILESCCNC(=O)c1cccc(NC(=O)CN[C@H](c2ccc(C(C)C)cc2)C(C)C)c1
InChIInChI=1S/C24H33N3O2/c1-6-25-24(29)20-8-7-9-21(14-20)27-22(28)15-26-23(17(4)5)19-12-10-18(11-13-19)16(2)3/h7-14,16-17,23,26H,6,15H2,1-5H3,(H,25,29)(H,27,28)/t23-/m0/s1
InChIKeyCTPMBXRLGGALCD-QHCPKHFHSA-N
MW395.55 g/mol
LogP4.49
Rot. Bonds9

About N-ethyl-3-[[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]amino]benzamide

N-ethyl-3-[[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]amino]benzamide (PubChem CID 8923917) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is N-ethyl-3-[[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-ethyl-3-[[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]amino]benzamide
PubChem CID8923917
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC NameN-ethyl-3-[[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]amino]benzamide
SMILESCCNC(=O)c1cccc(NC(=O)CN[C@H](c2ccc(C(C)C)cc2)C(C)C)c1
InChIInChI=1S/C24H33N3O2/c1-6-25-24(29)20-8-7-9-21(14-20)27-22(28)15-26-23(17(4)5)19-12-10-18(11-13-19)16(2)3/h7-14,16-17,23,26H,6,15H2,1-5H3,(H,25,29)(H,27,28)/t23-/m0/s1
InChIKeyCTPMBXRLGGALCD-QHCPKHFHSA-N
XLogP4.49
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-N-(3-methylsulfonylphenyl)acetamide
CID 8923977
3-[[2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]amino]-N,N-diethylbenzamide
CID 18228267
N-(3-acetamidophenyl)-2-[(2-methyl-1-phenylpropyl)amino]acetamide
CID 86909136
N-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 51220151
2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(3-methylphenyl)acetamide
CID 9133292
N-ethyl-3-[[2-oxo-2-[3-(1-phenylethylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54837990
N-ethyl-3-[[2-[[(1R)-1-(1-methyltetrazol-5-yl)ethyl]amino]acetyl]amino]benzamide
CID 124844498
3-acetamido-N-ethylbenzamide
CID 17230670
N-ethyl-3-[[2-(prop-2-ynylamino)acetyl]amino]benzamide
CID 78912963
3-chloro-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]benzamide
CID 24537992
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-methyl-5-propan-2-ylphenoxy)acetate
CID 8806398
2-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]amino]-N-(3-methylsulfonylphenyl)acetamide
CID 8971206

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]amino]benzamide?
The IUPAC name of N-ethyl-3-[[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]amino]benzamide (CID 8923917) is N-ethyl-3-[[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]amino]benzamide.
What is the SMILES notation for N-ethyl-3-[[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]amino]benzamide?
The canonical SMILES for N-ethyl-3-[[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]amino]benzamide is CCNC(=O)c1cccc(NC(=O)CN[C@H](c2ccc(C(C)C)cc2)C(C)C)c1.
What is the InChIKey of N-ethyl-3-[[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]amino]benzamide?
The InChIKey is CTPMBXRLGGALCD-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-6-25-24(29)20-8-7-9-21(14-20)27-22(28)15-26-23(17(4)5)19-12-10-18(11-13-19)16(2)3/h7-14,16-17,23,26H,6,15H2,1-5H3,(H,25,29)(H,27,28)/t23-/m0/s1.
What are the key properties of N-ethyl-3-[[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]amino]benzamide?
N-ethyl-3-[[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]amino]benzamide has a molecular weight of 395.55 g/mol, XLogP of 4.49, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]amino]benzamide is sourced from PubChem (CID 8923917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).