4-[methyl-[3-[[methyl(phenyl)carbamoyl]amino]butyl]amino]-N-propan-2-ylbenzamide

C23H32N4O2 — CID 170187253

IUPAC4-[methyl-[3-[[methyl(phenyl)carbamoyl]amino]butyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(N(C)CCC(C)NC(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C23H32N4O2/c1-17(2)24-22(28)19-11-13-20(14-12-19)26(4)16-15-18(3)25-23(29)27(5)21-9-7-6-8-10-21/h6-14,17-18H,15-16H2,1-5H3,(H,24,28)(H,25,29)
InChIKeyGZOKDYSYELLVGY-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.89
Rot. Bonds8

About 4-[methyl-[3-[[methyl(phenyl)carbamoyl]amino]butyl]amino]-N-propan-2-ylbenzamide

4-[methyl-[3-[[methyl(phenyl)carbamoyl]amino]butyl]amino]-N-propan-2-ylbenzamide (PubChem CID 170187253) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 4-[methyl-[3-[[methyl(phenyl)carbamoyl]amino]butyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[methyl-[3-[[methyl(phenyl)carbamoyl]amino]butyl]amino]-N-propan-2-ylbenzamide
PubChem CID170187253
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name4-[methyl-[3-[[methyl(phenyl)carbamoyl]amino]butyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(N(C)CCC(C)NC(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C23H32N4O2/c1-17(2)24-22(28)19-11-13-20(14-12-19)26(4)16-15-18(3)25-23(29)27(5)21-9-7-6-8-10-21/h6-14,17-18H,15-16H2,1-5H3,(H,24,28)(H,25,29)
InChIKeyGZOKDYSYELLVGY-UHFFFAOYSA-N
XLogP3.89
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-aminopropan-2-yl)-1-methyl-1-phenylurea
CID 82507336
5-[[methyl(phenyl)carbamoyl]amino]hexanoic acid
CID 82846573
methyl 4-(N-methylanilino)-2-(propan-2-ylamino)butanoate
CID 63029737
2-methyl-6-[[methyl(phenyl)carbamoyl]amino]heptanoic acid
CID 65285289
4-(dimethylamino)-N-propan-2-ylbenzamide
CID 18712040
1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide
CID 35617422
2-[[methyl(phenyl)carbamoyl]amino]propanoic acid
CID 61187226
methyl 2-(methylamino)-4-(N-methylanilino)butanoate
CID 63029346
(2R)-3-methyl-2-[[4-[methyl(propyl)amino]benzoyl]amino]butanoic acid
CID 119369470
3-[3-(N-methylanilino)propylamino]butanoic acid
CID 43536640
CID 68891597
CID 68891597
(2S)-2-[[4-[butyl(methyl)amino]benzoyl]amino]-3-methylbutanoic acid
CID 119359449

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[3-[[methyl(phenyl)carbamoyl]amino]butyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[methyl-[3-[[methyl(phenyl)carbamoyl]amino]butyl]amino]-N-propan-2-ylbenzamide (CID 170187253) is 4-[methyl-[3-[[methyl(phenyl)carbamoyl]amino]butyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[methyl-[3-[[methyl(phenyl)carbamoyl]amino]butyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[methyl-[3-[[methyl(phenyl)carbamoyl]amino]butyl]amino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(N(C)CCC(C)NC(=O)N(C)c2ccccc2)cc1.
What is the InChIKey of 4-[methyl-[3-[[methyl(phenyl)carbamoyl]amino]butyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is GZOKDYSYELLVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-17(2)24-22(28)19-11-13-20(14-12-19)26(4)16-15-18(3)25-23(29)27(5)21-9-7-6-8-10-21/h6-14,17-18H,15-16H2,1-5H3,(H,24,28)(H,25,29).
What are the key properties of 4-[methyl-[3-[[methyl(phenyl)carbamoyl]amino]butyl]amino]-N-propan-2-ylbenzamide?
4-[methyl-[3-[[methyl(phenyl)carbamoyl]amino]butyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 396.54 g/mol, XLogP of 3.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[3-[[methyl(phenyl)carbamoyl]amino]butyl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 170187253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).