2-methyl-N-[[3-[[(4-methylphenyl)methylcarbamoylamino]methyl]phenyl]methyl]pentanamide

C23H31N3O2 — CID 23876903

IUPAC2-methyl-N-[[3-[[(4-methylphenyl)methylcarbamoylamino]methyl]phenyl]methyl]pentanamide
SMILESCCCC(C)C(=O)NCc1cccc(CNC(=O)NCc2ccc(C)cc2)c1
InChIInChI=1S/C23H31N3O2/c1-4-6-18(3)22(27)24-15-20-7-5-8-21(13-20)16-26-23(28)25-14-19-11-9-17(2)10-12-19/h5,7-13,18H,4,6,14-16H2,1-3H3,(H,24,27)(H2,25,26,28)
InChIKeyQYVFRICJYXFTMM-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.05
Rot. Bonds9

About 2-methyl-N-[[3-[[(4-methylphenyl)methylcarbamoylamino]methyl]phenyl]methyl]pentanamide

2-methyl-N-[[3-[[(4-methylphenyl)methylcarbamoylamino]methyl]phenyl]methyl]pentanamide (PubChem CID 23876903) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 2-methyl-N-[[3-[[(4-methylphenyl)methylcarbamoylamino]methyl]phenyl]methyl]pentanamide.

Molecular Properties

Compound Name2-methyl-N-[[3-[[(4-methylphenyl)methylcarbamoylamino]methyl]phenyl]methyl]pentanamide
PubChem CID23876903
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name2-methyl-N-[[3-[[(4-methylphenyl)methylcarbamoylamino]methyl]phenyl]methyl]pentanamide
SMILESCCCC(C)C(=O)NCc1cccc(CNC(=O)NCc2ccc(C)cc2)c1
InChIInChI=1S/C23H31N3O2/c1-4-6-18(3)22(27)24-15-20-7-5-8-21(13-20)16-26-23(28)25-14-19-11-9-17(2)10-12-19/h5,7-13,18H,4,6,14-16H2,1-3H3,(H,24,27)(H2,25,26,28)
InChIKeyQYVFRICJYXFTMM-UHFFFAOYSA-N
XLogP4.05
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
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 ≤ 102

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Related Compounds

2-methyl-N-[[3-[(2-phenylethylcarbamoylamino)methyl]phenyl]methyl]pentanamide
CID 23903259
N-[(4-aminophenyl)methyl]-2-methylpentanamide
CID 60891259
(2S)-2-[(3-methylphenyl)methylcarbamoylamino]pentanoic acid
CID 30121245
2-methyl-N-[[3-[(2-methylpropanoylamino)methyl]phenyl]methyl]propanamide
CID 4168870
N-[[3-(hydroxymethyl)phenyl]methyl]-2-propylpentanamide
CID 115532885
2-amino-N-[(3-methylphenyl)methyl]pentanamide;hydrochloride
CID 119281680
N-[(3-methoxyphenyl)methyl]-2-methylhexanamide
CID 163830422
4-methoxy-N-[[3-[[(4-methylphenyl)methylcarbamoylamino]methyl]phenyl]methyl]benzamide
CID 23988040
3-[[[(2S)-2-aminopropanoyl]amino]methyl]-N-[(4-methylphenyl)methyl]benzamide;hydrochloride
CID 119289031
1-[(3-methylphenyl)methyl]-3-(2-methylpropyl)urea
CID 47159778
1-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]urea
CID 17399631
N'-[[3-(aminomethyl)phenyl]methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 108518093

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-[[(4-methylphenyl)methylcarbamoylamino]methyl]phenyl]methyl]pentanamide?
The IUPAC name of 2-methyl-N-[[3-[[(4-methylphenyl)methylcarbamoylamino]methyl]phenyl]methyl]pentanamide (CID 23876903) is 2-methyl-N-[[3-[[(4-methylphenyl)methylcarbamoylamino]methyl]phenyl]methyl]pentanamide.
What is the SMILES notation for 2-methyl-N-[[3-[[(4-methylphenyl)methylcarbamoylamino]methyl]phenyl]methyl]pentanamide?
The canonical SMILES for 2-methyl-N-[[3-[[(4-methylphenyl)methylcarbamoylamino]methyl]phenyl]methyl]pentanamide is CCCC(C)C(=O)NCc1cccc(CNC(=O)NCc2ccc(C)cc2)c1.
What is the InChIKey of 2-methyl-N-[[3-[[(4-methylphenyl)methylcarbamoylamino]methyl]phenyl]methyl]pentanamide?
The InChIKey is QYVFRICJYXFTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-4-6-18(3)22(27)24-15-20-7-5-8-21(13-20)16-26-23(28)25-14-19-11-9-17(2)10-12-19/h5,7-13,18H,4,6,14-16H2,1-3H3,(H,24,27)(H2,25,26,28).
What are the key properties of 2-methyl-N-[[3-[[(4-methylphenyl)methylcarbamoylamino]methyl]phenyl]methyl]pentanamide?
2-methyl-N-[[3-[[(4-methylphenyl)methylcarbamoylamino]methyl]phenyl]methyl]pentanamide has a molecular weight of 381.52 g/mol, XLogP of 4.05, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-[[(4-methylphenyl)methylcarbamoylamino]methyl]phenyl]methyl]pentanamide is sourced from PubChem (CID 23876903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).