2-[[2-methyl-1-(4-propylphenyl)propyl]amino]-N-(propylcarbamoyl)acetamide

C19H31N3O2 — CID 46615152

IUPAC2-[[2-methyl-1-(4-propylphenyl)propyl]amino]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CNC(c1ccc(CCC)cc1)C(C)C
InChIInChI=1S/C19H31N3O2/c1-5-7-15-8-10-16(11-9-15)18(14(3)4)21-13-17(23)22-19(24)20-12-6-2/h8-11,14,18,21H,5-7,12-13H2,1-4H3,(H2,20,22,23,24)
InChIKeyIENIKLUBCSFIHP-UHFFFAOYSA-N
MW333.48 g/mol
LogP3.16
Rot. Bonds9

About 2-[[2-methyl-1-(4-propylphenyl)propyl]amino]-N-(propylcarbamoyl)acetamide

2-[[2-methyl-1-(4-propylphenyl)propyl]amino]-N-(propylcarbamoyl)acetamide (PubChem CID 46615152) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-[[2-methyl-1-(4-propylphenyl)propyl]amino]-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[[2-methyl-1-(4-propylphenyl)propyl]amino]-N-(propylcarbamoyl)acetamide
PubChem CID46615152
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name2-[[2-methyl-1-(4-propylphenyl)propyl]amino]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CNC(c1ccc(CCC)cc1)C(C)C
InChIInChI=1S/C19H31N3O2/c1-5-7-15-8-10-16(11-9-15)18(14(3)4)21-13-17(23)22-19(24)20-12-6-2/h8-11,14,18,21H,5-7,12-13H2,1-4H3,(H2,20,22,23,24)
InChIKeyIENIKLUBCSFIHP-UHFFFAOYSA-N
XLogP3.16
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 8992755
2-[[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-(ethylcarbamoyl)acetamide
CID 8834223
N-(ethylcarbamoyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9132089
2-[[2-methyl-1-(4-propylphenyl)propyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 78818494
2-[[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(ethylcarbamoyl)acetamide
CID 9129547
N-(cyclopropylmethyl)-2-[[2-methyl-1-(4-propylphenyl)propyl]amino]acetamide
CID 78841972
N,N-dimethyl-2-[[2-methyl-1-(4-propylphenyl)propyl]amino]acetamide
CID 78818491
N-[[(2S)-butan-2-yl]carbamoyl]-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide
CID 8992506
2-[[(1S)-2-methyl-1-phenylpropyl]amino]-N-(2-methylpropylcarbamoyl)acetamide
CID 9132325
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(propylcarbamoyl)acetamide
CID 9375772
2-[[2-methyl-1-(4-propylphenyl)propyl]amino]-1-morpholin-4-ylethanone
CID 78818405
N-(2-chloro-3-pyridinyl)-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide
CID 8970430

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-1-(4-propylphenyl)propyl]amino]-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-[[2-methyl-1-(4-propylphenyl)propyl]amino]-N-(propylcarbamoyl)acetamide (CID 46615152) is 2-[[2-methyl-1-(4-propylphenyl)propyl]amino]-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-[[2-methyl-1-(4-propylphenyl)propyl]amino]-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-[[2-methyl-1-(4-propylphenyl)propyl]amino]-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)CNC(c1ccc(CCC)cc1)C(C)C.
What is the InChIKey of 2-[[2-methyl-1-(4-propylphenyl)propyl]amino]-N-(propylcarbamoyl)acetamide?
The InChIKey is IENIKLUBCSFIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-5-7-15-8-10-16(11-9-15)18(14(3)4)21-13-17(23)22-19(24)20-12-6-2/h8-11,14,18,21H,5-7,12-13H2,1-4H3,(H2,20,22,23,24).
What are the key properties of 2-[[2-methyl-1-(4-propylphenyl)propyl]amino]-N-(propylcarbamoyl)acetamide?
2-[[2-methyl-1-(4-propylphenyl)propyl]amino]-N-(propylcarbamoyl)acetamide has a molecular weight of 333.48 g/mol, XLogP of 3.16, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-1-(4-propylphenyl)propyl]amino]-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 46615152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).