2-[methyl-[2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-2-oxoethyl]amino]acetamide

C17H27N3O2 — CID 56814568

IUPAC2-[methyl-[2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-2-oxoethyl]amino]acetamide
SMILESCC(C)Cc1ccc(C(C)NC(=O)CN(C)CC(N)=O)cc1
InChIInChI=1S/C17H27N3O2/c1-12(2)9-14-5-7-15(8-6-14)13(3)19-17(22)11-20(4)10-16(18)21/h5-8,12-13H,9-11H2,1-4H3,(H2,18,21)(H,19,22)
InChIKeyZRGPUGCISYHYNT-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.48
Rot. Bonds8

About 2-[methyl-[2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-2-oxoethyl]amino]acetamide

2-[methyl-[2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-2-oxoethyl]amino]acetamide (PubChem CID 56814568) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-[methyl-[2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound Name2-[methyl-[2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-2-oxoethyl]amino]acetamide
PubChem CID56814568
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name2-[methyl-[2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-2-oxoethyl]amino]acetamide
SMILESCC(C)Cc1ccc(C(C)NC(=O)CN(C)CC(N)=O)cc1
InChIInChI=1S/C17H27N3O2/c1-12(2)9-14-5-7-15(8-6-14)13(3)19-17(22)11-20(4)10-16(18)21/h5-8,12-13H,9-11H2,1-4H3,(H2,18,21)(H,19,22)
InChIKeyZRGPUGCISYHYNT-UHFFFAOYSA-N
XLogP1.48
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl-[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 8906778
2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanediamide
CID 60848149
2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 51226406
2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 27107976
2-[4-(2-methylpropyl)phenyl]-N-(1-phenylethyl)acetamide
CID 86249193
4-N-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene-1,4-dicarboxamide
CID 46807135
2-ethoxy-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 60636134
2-[methyl-[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]amino]acetamide
CID 94404650
N-[1-(4-ethylphenyl)ethyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 111336392
2-[benzyl(methyl)amino]-N-(1-phenylethyl)acetamide
CID 18078396
2-amino-3-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide;hydrochloride
CID 119267840
2-[2-aminoethyl(methyl)amino]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 62687201

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-2-oxoethyl]amino]acetamide?
The IUPAC name of 2-[methyl-[2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-2-oxoethyl]amino]acetamide (CID 56814568) is 2-[methyl-[2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-2-oxoethyl]amino]acetamide.
What is the SMILES notation for 2-[methyl-[2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-2-oxoethyl]amino]acetamide?
The canonical SMILES for 2-[methyl-[2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-2-oxoethyl]amino]acetamide is CC(C)Cc1ccc(C(C)NC(=O)CN(C)CC(N)=O)cc1.
What is the InChIKey of 2-[methyl-[2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-2-oxoethyl]amino]acetamide?
The InChIKey is ZRGPUGCISYHYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-12(2)9-14-5-7-15(8-6-14)13(3)19-17(22)11-20(4)10-16(18)21/h5-8,12-13H,9-11H2,1-4H3,(H2,18,21)(H,19,22).
What are the key properties of 2-[methyl-[2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-2-oxoethyl]amino]acetamide?
2-[methyl-[2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-2-oxoethyl]amino]acetamide has a molecular weight of 305.42 g/mol, XLogP of 1.48, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 56814568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).