4-[[2-[[(1S)-1-(4-butylphenyl)-2-methylpropyl]amino]acetyl]amino]benzamide

C23H31N3O2 — CID 8998366

IUPAC4-[[2-[[(1S)-1-(4-butylphenyl)-2-methylpropyl]amino]acetyl]amino]benzamide
SMILESCCCCc1ccc([C@@H](NCC(=O)Nc2ccc(C(N)=O)cc2)C(C)C)cc1
InChIInChI=1S/C23H31N3O2/c1-4-5-6-17-7-9-18(10-8-17)22(16(2)3)25-15-21(27)26-20-13-11-19(12-14-20)23(24)28/h7-14,16,22,25H,4-6,15H2,1-3H3,(H2,24,28)(H,26,27)/t22-/m0/s1
InChIKeyNVBBXSONIVZHIZ-QFIPXVFZSA-N
MW381.52 g/mol
LogP4.05
Rot. Bonds10

About 4-[[2-[[(1S)-1-(4-butylphenyl)-2-methylpropyl]amino]acetyl]amino]benzamide

4-[[2-[[(1S)-1-(4-butylphenyl)-2-methylpropyl]amino]acetyl]amino]benzamide (PubChem CID 8998366) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 4-[[2-[[(1S)-1-(4-butylphenyl)-2-methylpropyl]amino]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[[(1S)-1-(4-butylphenyl)-2-methylpropyl]amino]acetyl]amino]benzamide
PubChem CID8998366
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name4-[[2-[[(1S)-1-(4-butylphenyl)-2-methylpropyl]amino]acetyl]amino]benzamide
SMILESCCCCc1ccc([C@@H](NCC(=O)Nc2ccc(C(N)=O)cc2)C(C)C)cc1
InChIInChI=1S/C23H31N3O2/c1-4-5-6-17-7-9-18(10-8-17)22(16(2)3)25-15-21(27)26-20-13-11-19(12-14-20)23(24)28/h7-14,16,22,25H,4-6,15H2,1-3H3,(H2,24,28)(H,26,27)/t22-/m0/s1
InChIKeyNVBBXSONIVZHIZ-QFIPXVFZSA-N
XLogP4.05
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[[2-[[(1S)-1-(4-butylphenyl)-2-methylpropyl]amino]acetyl]amino]benzamide with MolForge

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Related Compounds

2-(butan-2-ylamino)-N-(4-butylphenyl)acetamide
CID 54917864
4-[[2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetyl]amino]-N,N-dimethylbenzamide
CID 8992485
2-[[(1S)-1-(4-butylphenyl)-2-methylpropyl]amino]-N-(2-methylsulfonylphenyl)acetamide
CID 8998557
N-[4-(dimethylsulfamoyl)phenyl]-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide
CID 8970456
N-(4-acetamidophenyl)-2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetamide
CID 8995951
4-[[2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetyl]amino]benzamide
CID 9136177
1-(4-butylphenyl)-N-ethyl-2-methylpropan-1-amine
CID 43393753
2-[[2-(4-carbamoylanilino)-2-oxoethyl]amino]propanoic acid
CID 43467013
2-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]amino]-N-(3-methylsulfonylphenyl)acetamide
CID 8971206
4-[[2-[[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]acetyl]amino]-N,N-dimethylbenzamide
CID 8834378
N-methyl-4-[[2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetyl]amino]benzamide
CID 9132978
4-[[2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]amino]-N-methylbenzamide
CID 18089028

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[[(1S)-1-(4-butylphenyl)-2-methylpropyl]amino]acetyl]amino]benzamide?
The IUPAC name of 4-[[2-[[(1S)-1-(4-butylphenyl)-2-methylpropyl]amino]acetyl]amino]benzamide (CID 8998366) is 4-[[2-[[(1S)-1-(4-butylphenyl)-2-methylpropyl]amino]acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[[(1S)-1-(4-butylphenyl)-2-methylpropyl]amino]acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[[(1S)-1-(4-butylphenyl)-2-methylpropyl]amino]acetyl]amino]benzamide is CCCCc1ccc([C@@H](NCC(=O)Nc2ccc(C(N)=O)cc2)C(C)C)cc1.
What is the InChIKey of 4-[[2-[[(1S)-1-(4-butylphenyl)-2-methylpropyl]amino]acetyl]amino]benzamide?
The InChIKey is NVBBXSONIVZHIZ-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-4-5-6-17-7-9-18(10-8-17)22(16(2)3)25-15-21(27)26-20-13-11-19(12-14-20)23(24)28/h7-14,16,22,25H,4-6,15H2,1-3H3,(H2,24,28)(H,26,27)/t22-/m0/s1.
What are the key properties of 4-[[2-[[(1S)-1-(4-butylphenyl)-2-methylpropyl]amino]acetyl]amino]benzamide?
4-[[2-[[(1S)-1-(4-butylphenyl)-2-methylpropyl]amino]acetyl]amino]benzamide has a molecular weight of 381.52 g/mol, XLogP of 4.05, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[[(1S)-1-(4-butylphenyl)-2-methylpropyl]amino]acetyl]amino]benzamide is sourced from PubChem (CID 8998366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).