N-benzyl-N-methyl-3-[(3-methyl-2-phenylbutyl)carbamoylamino]propanamide

C23H31N3O2 — CID 86879831

IUPACN-benzyl-N-methyl-3-[(3-methyl-2-phenylbutyl)carbamoylamino]propanamide
SMILESCC(C)C(CNC(=O)NCCC(=O)N(C)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H31N3O2/c1-18(2)21(20-12-8-5-9-13-20)16-25-23(28)24-15-14-22(27)26(3)17-19-10-6-4-7-11-19/h4-13,18,21H,14-17H2,1-3H3,(H2,24,25,28)
InChIKeyHNSFUSVOTJUWRY-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.77
Rot. Bonds9

About N-benzyl-N-methyl-3-[(3-methyl-2-phenylbutyl)carbamoylamino]propanamide

N-benzyl-N-methyl-3-[(3-methyl-2-phenylbutyl)carbamoylamino]propanamide (PubChem CID 86879831) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-benzyl-N-methyl-3-[(3-methyl-2-phenylbutyl)carbamoylamino]propanamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-3-[(3-methyl-2-phenylbutyl)carbamoylamino]propanamide
PubChem CID86879831
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC NameN-benzyl-N-methyl-3-[(3-methyl-2-phenylbutyl)carbamoylamino]propanamide
SMILESCC(C)C(CNC(=O)NCCC(=O)N(C)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H31N3O2/c1-18(2)21(20-12-8-5-9-13-20)16-25-23(28)24-15-14-22(27)26(3)17-19-10-6-4-7-11-19/h4-13,18,21H,14-17H2,1-3H3,(H2,24,25,28)
InChIKeyHNSFUSVOTJUWRY-UHFFFAOYSA-N
XLogP3.77
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-methyl-3-[[N'-methyl-N-(1-phenylethyl)carbamimidoyl]amino]propanamide
CID 110949232
N-benzyl-3-[1-(2-bromophenyl)ethylcarbamoylamino]-N-methylpropanamide
CID 86879791
N-benzyl-3-(2-cyclohexylethylcarbamoylamino)-N-methylpropanamide
CID 86879903
1-(2,2-dimethylpropyl)-3-(3-methyl-2-phenylbutyl)urea
CID 112840322
N-benzyl-N-methyl-4-(propan-2-ylamino)butanamide
CID 60850765
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-3-(phenylcarbamoylamino)propanamide
CID 35603930
N-benzyl-N-methyl-3-(propylamino)propanamide
CID 109011497
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
N-benzyl-N-methyl-3-[[N'-methyl-N-(2-phenylethyl)carbamimidoyl]amino]propanamide
CID 111134571
N-[3-[(4-bromophenyl)methyl-methylamino]-3-oxopropyl]benzamide
CID 30877774
N-(2-amino-2-phenylethyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide
CID 119528512
N-benzyl-N-methyl-3-[[N'-methyl-N-(2-phenylsulfanylpropyl)carbamimidoyl]amino]propanamide
CID 111676950

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-3-[(3-methyl-2-phenylbutyl)carbamoylamino]propanamide?
The IUPAC name of N-benzyl-N-methyl-3-[(3-methyl-2-phenylbutyl)carbamoylamino]propanamide (CID 86879831) is N-benzyl-N-methyl-3-[(3-methyl-2-phenylbutyl)carbamoylamino]propanamide.
What is the SMILES notation for N-benzyl-N-methyl-3-[(3-methyl-2-phenylbutyl)carbamoylamino]propanamide?
The canonical SMILES for N-benzyl-N-methyl-3-[(3-methyl-2-phenylbutyl)carbamoylamino]propanamide is CC(C)C(CNC(=O)NCCC(=O)N(C)Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-N-methyl-3-[(3-methyl-2-phenylbutyl)carbamoylamino]propanamide?
The InChIKey is HNSFUSVOTJUWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-18(2)21(20-12-8-5-9-13-20)16-25-23(28)24-15-14-22(27)26(3)17-19-10-6-4-7-11-19/h4-13,18,21H,14-17H2,1-3H3,(H2,24,25,28).
What are the key properties of N-benzyl-N-methyl-3-[(3-methyl-2-phenylbutyl)carbamoylamino]propanamide?
N-benzyl-N-methyl-3-[(3-methyl-2-phenylbutyl)carbamoylamino]propanamide has a molecular weight of 381.52 g/mol, XLogP of 3.77, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-3-[(3-methyl-2-phenylbutyl)carbamoylamino]propanamide is sourced from PubChem (CID 86879831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).