N-(ethylcarbamoyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide

C16H25N3O2 — CID 9028269

IUPACN-(ethylcarbamoyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
SMILESCCNC(=O)NC(=O)CN(C)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C16H25N3O2/c1-5-17-16(21)18-15(20)11-19(4)10-13-6-8-14(9-7-13)12(2)3/h6-9,12H,5,10-11H2,1-4H3,(H2,17,18,20,21)
InChIKeyBUKIKXQNZQWZGF-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.09
Rot. Bonds6

About N-(ethylcarbamoyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide

N-(ethylcarbamoyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide (PubChem CID 9028269) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-(ethylcarbamoyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(ethylcarbamoyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
PubChem CID9028269
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN-(ethylcarbamoyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
SMILESCCNC(=O)NC(=O)CN(C)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C16H25N3O2/c1-5-17-16(21)18-15(20)11-19(4)10-13-6-8-14(9-7-13)12(2)3/h6-9,12H,5,10-11H2,1-4H3,(H2,17,18,20,21)
InChIKeyBUKIKXQNZQWZGF-UHFFFAOYSA-N
XLogP2.09
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-methylpropylcarbamoyl)acetamide
CID 9028292
N-(tert-butylcarbamoyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
CID 9028162
2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(ethylcarbamoyl)acetamide
CID 8915748
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(ethylcarbamoyl)acetamide
CID 9023545
2-[(4-fluorophenyl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 9251733
2-[(4-ethoxyphenyl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 27204242
2-[(4-fluorophenyl)methyl-methylamino]-N-(propylcarbamoyl)acetamide
CID 9251739
N-(2-cyanoethyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
CID 18124296
2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-phenylethyl)acetamide
CID 9028707
2-[(4-fluorophenyl)methyl-methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 9251924
N-[[(2R)-butan-2-yl]carbamoyl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 9251798
N-[[(2S)-butan-2-yl]carbamoyl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 9251801

Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamoyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide?
The IUPAC name of N-(ethylcarbamoyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide (CID 9028269) is N-(ethylcarbamoyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide.
What is the SMILES notation for N-(ethylcarbamoyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide?
The canonical SMILES for N-(ethylcarbamoyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide is CCNC(=O)NC(=O)CN(C)Cc1ccc(C(C)C)cc1.
What is the InChIKey of N-(ethylcarbamoyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide?
The InChIKey is BUKIKXQNZQWZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-5-17-16(21)18-15(20)11-19(4)10-13-6-8-14(9-7-13)12(2)3/h6-9,12H,5,10-11H2,1-4H3,(H2,17,18,20,21).
What are the key properties of N-(ethylcarbamoyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide?
N-(ethylcarbamoyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide has a molecular weight of 291.40 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamoyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide is sourced from PubChem (CID 9028269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).