2-methyl-N-[[3-[(2-phenylethylcarbamoylamino)methyl]phenyl]methyl]pentanamide

C23H31N3O2 — CID 23903259

IUPAC2-methyl-N-[[3-[(2-phenylethylcarbamoylamino)methyl]phenyl]methyl]pentanamide
SMILESCCCC(C)C(=O)NCc1cccc(CNC(=O)NCCc2ccccc2)c1
InChIInChI=1S/C23H31N3O2/c1-3-8-18(2)22(27)25-16-20-11-7-12-21(15-20)17-26-23(28)24-14-13-19-9-5-4-6-10-19/h4-7,9-12,15,18H,3,8,13-14,16-17H2,1-2H3,(H,25,27)(H2,24,26,28)
InChIKeyULRVPMMELIASNS-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.78
Rot. Bonds10

About 2-methyl-N-[[3-[(2-phenylethylcarbamoylamino)methyl]phenyl]methyl]pentanamide

2-methyl-N-[[3-[(2-phenylethylcarbamoylamino)methyl]phenyl]methyl]pentanamide (PubChem CID 23903259) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 2-methyl-N-[[3-[(2-phenylethylcarbamoylamino)methyl]phenyl]methyl]pentanamide.

Molecular Properties

Compound Name2-methyl-N-[[3-[(2-phenylethylcarbamoylamino)methyl]phenyl]methyl]pentanamide
PubChem CID23903259
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name2-methyl-N-[[3-[(2-phenylethylcarbamoylamino)methyl]phenyl]methyl]pentanamide
SMILESCCCC(C)C(=O)NCc1cccc(CNC(=O)NCCc2ccccc2)c1
InChIInChI=1S/C23H31N3O2/c1-3-8-18(2)22(27)25-16-20-11-7-12-21(15-20)17-26-23(28)24-14-13-19-9-5-4-6-10-19/h4-7,9-12,15,18H,3,8,13-14,16-17H2,1-2H3,(H,25,27)(H2,24,26,28)
InChIKeyULRVPMMELIASNS-UHFFFAOYSA-N
XLogP3.78
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[[3-[[(4-methylphenyl)methylcarbamoylamino]methyl]phenyl]methyl]pentanamide
CID 23876903
1-[(3-fluorophenyl)methyl]-3-(2-phenylethyl)urea
CID 47172429
1-[(3-bromophenyl)methyl]-3-(2-phenylethyl)urea
CID 60601402
2-methyl-N-[[3-[(2-phenylethylcarbamoylamino)methyl]phenyl]methyl]benzamide
CID 23824532
N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide
CID 78770059
N-[2-(4-aminophenyl)ethyl]-2-methylpentanamide
CID 61218501
3-methyl-N-[[3-[(propylcarbamoylamino)methyl]phenyl]methyl]butanamide
CID 23879599
2-methyl-N-[[3-[(2-methylpropanoylamino)methyl]phenyl]methyl]propanamide
CID 4168870
1-benzyl-3-(3-hydroxybutyl)urea
CID 103670110
N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylpentanamide
CID 78778646
(2S)-2-[(3-methylphenyl)methylcarbamoylamino]pentanoic acid
CID 30121245
1-benzyl-3-[2-(3-bromophenyl)ethyl]urea
CID 108871346

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-[(2-phenylethylcarbamoylamino)methyl]phenyl]methyl]pentanamide?
The IUPAC name of 2-methyl-N-[[3-[(2-phenylethylcarbamoylamino)methyl]phenyl]methyl]pentanamide (CID 23903259) is 2-methyl-N-[[3-[(2-phenylethylcarbamoylamino)methyl]phenyl]methyl]pentanamide.
What is the SMILES notation for 2-methyl-N-[[3-[(2-phenylethylcarbamoylamino)methyl]phenyl]methyl]pentanamide?
The canonical SMILES for 2-methyl-N-[[3-[(2-phenylethylcarbamoylamino)methyl]phenyl]methyl]pentanamide is CCCC(C)C(=O)NCc1cccc(CNC(=O)NCCc2ccccc2)c1.
What is the InChIKey of 2-methyl-N-[[3-[(2-phenylethylcarbamoylamino)methyl]phenyl]methyl]pentanamide?
The InChIKey is ULRVPMMELIASNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-3-8-18(2)22(27)25-16-20-11-7-12-21(15-20)17-26-23(28)24-14-13-19-9-5-4-6-10-19/h4-7,9-12,15,18H,3,8,13-14,16-17H2,1-2H3,(H,25,27)(H2,24,26,28).
What are the key properties of 2-methyl-N-[[3-[(2-phenylethylcarbamoylamino)methyl]phenyl]methyl]pentanamide?
2-methyl-N-[[3-[(2-phenylethylcarbamoylamino)methyl]phenyl]methyl]pentanamide has a molecular weight of 381.52 g/mol, XLogP of 3.78, 10 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-[(2-phenylethylcarbamoylamino)methyl]phenyl]methyl]pentanamide is sourced from PubChem (CID 23903259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).