N-carbamoyl-2-[(2-ethylphenyl)methylamino]acetamide

C12H17N3O2 — CID 64681372

IUPACN-carbamoyl-2-[(2-ethylphenyl)methylamino]acetamide
SMILESCCc1ccccc1CNCC(=O)NC(N)=O
InChIInChI=1S/C12H17N3O2/c1-2-9-5-3-4-6-10(9)7-14-8-11(16)15-12(13)17/h3-6,14H,2,7-8H2,1H3,(H3,13,15,16,17)
InChIKeyBTAFHVSDYVUUFY-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.53
Rot. Bonds5

About N-carbamoyl-2-[(2-ethylphenyl)methylamino]acetamide

N-carbamoyl-2-[(2-ethylphenyl)methylamino]acetamide (PubChem CID 64681372) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-carbamoyl-2-[(2-ethylphenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[(2-ethylphenyl)methylamino]acetamide
PubChem CID64681372
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-carbamoyl-2-[(2-ethylphenyl)methylamino]acetamide
SMILESCCc1ccccc1CNCC(=O)NC(N)=O
InChIInChI=1S/C12H17N3O2/c1-2-9-5-3-4-6-10(9)7-14-8-11(16)15-12(13)17/h3-6,14H,2,7-8H2,1H3,(H3,13,15,16,17)
InChIKeyBTAFHVSDYVUUFY-UHFFFAOYSA-N
XLogP0.53
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-ethylphenyl)methylamino]acetamide
CID 62392428
methyl 2-[(2-ethylphenyl)methylamino]acetate
CID 62390681
N-carbamoyl-2-[(2,4-dimethoxyphenyl)methylamino]acetamide
CID 60977202
ethane;N-[(2-ethylphenyl)methyl]acetamide
CID 142489172
ethyl 2-[[2-(ethoxymethyl)phenyl]methylamino]acetate
CID 60923273
N-cyclopropyl-2-[(2-ethylphenyl)methylamino]-N-methylacetamide
CID 64680743
2-[[2-(ethoxymethyl)phenyl]methylamino]-N-methylacetamide
CID 54861824
ethyl 2-[(2-carbamoylphenyl)methylamino]acetate
CID 60812400
3-[[(2-ethylphenyl)methylamino]methyl]benzamide
CID 62391737
N-[(2-methylphenyl)methyl]-2-[(2-methylphenyl)methylamino]acetamide
CID 108996489
3-amino-N-[(2-ethylphenyl)methyl]-3-hydroxyiminopropanamide
CID 77052028
2-(benzylamino)-N-(2-ethylphenyl)acetamide
CID 766717

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[(2-ethylphenyl)methylamino]acetamide?
The IUPAC name of N-carbamoyl-2-[(2-ethylphenyl)methylamino]acetamide (CID 64681372) is N-carbamoyl-2-[(2-ethylphenyl)methylamino]acetamide.
What is the SMILES notation for N-carbamoyl-2-[(2-ethylphenyl)methylamino]acetamide?
The canonical SMILES for N-carbamoyl-2-[(2-ethylphenyl)methylamino]acetamide is CCc1ccccc1CNCC(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-[(2-ethylphenyl)methylamino]acetamide?
The InChIKey is BTAFHVSDYVUUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-2-9-5-3-4-6-10(9)7-14-8-11(16)15-12(13)17/h3-6,14H,2,7-8H2,1H3,(H3,13,15,16,17).
What are the key properties of N-carbamoyl-2-[(2-ethylphenyl)methylamino]acetamide?
N-carbamoyl-2-[(2-ethylphenyl)methylamino]acetamide has a molecular weight of 235.29 g/mol, XLogP of 0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[(2-ethylphenyl)methylamino]acetamide is sourced from PubChem (CID 64681372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).