N-carbamoyl-2-[(2,4-dimethoxyphenyl)methylamino]acetamide

C12H17N3O4 — CID 60977202

IUPACN-carbamoyl-2-[(2,4-dimethoxyphenyl)methylamino]acetamide
SMILESCOc1ccc(CNCC(=O)NC(N)=O)c(OC)c1
InChIInChI=1S/C12H17N3O4/c1-18-9-4-3-8(10(5-9)19-2)6-14-7-11(16)15-12(13)17/h3-5,14H,6-7H2,1-2H3,(H3,13,15,16,17)
InChIKeyXDJAPZHFYSZLGU-UHFFFAOYSA-N
MW267.28 g/mol
LogP-0.01
Rot. Bonds6

About N-carbamoyl-2-[(2,4-dimethoxyphenyl)methylamino]acetamide

N-carbamoyl-2-[(2,4-dimethoxyphenyl)methylamino]acetamide (PubChem CID 60977202) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is N-carbamoyl-2-[(2,4-dimethoxyphenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[(2,4-dimethoxyphenyl)methylamino]acetamide
PubChem CID60977202
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC NameN-carbamoyl-2-[(2,4-dimethoxyphenyl)methylamino]acetamide
SMILESCOc1ccc(CNCC(=O)NC(N)=O)c(OC)c1
InChIInChI=1S/C12H17N3O4/c1-18-9-4-3-8(10(5-9)19-2)6-14-7-11(16)15-12(13)17/h3-5,14H,6-7H2,1-2H3,(H3,13,15,16,17)
InChIKeyXDJAPZHFYSZLGU-UHFFFAOYSA-N
XLogP-0.01
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,4-dimethoxyphenyl)methylamino]acetic acid
CID 11042399
2-[(2,4-dimethoxyphenyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60957321
(2,4-dimethoxyphenyl)methylurea
CID 53362457
2-[(2,4-dimethoxyphenyl)methylamino]acetic acid;ethane;methanol
CID 170597186
N-carbamoyl-2-(2,4-dimethoxyanilino)acetamide
CID 28570489
2-[(2,4-dimethoxyphenyl)methylamino]-N,N-dimethylacetamide
CID 43214431
N-(2-amino-2-oxoethyl)-2-(2,4-dimethoxyphenyl)acetamide
CID 9297010
2-[(2,4-dimethoxyphenyl)methylamino]-1-morpholin-4-ylethanone
CID 60976756
5-[(2,4-dimethoxyphenyl)methylamino]pentanamide
CID 106234712
N-[(2,4-dimethoxyphenyl)methyl]-2-(methylamino)acetamide
CID 55190564
methyl 3-[(2,4-dimethoxyphenyl)methylamino]propanoate
CID 11844508
2-[(2,4-dimethoxyphenyl)methylamino]ethylcarbamic acid
CID 155211996

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[(2,4-dimethoxyphenyl)methylamino]acetamide?
The IUPAC name of N-carbamoyl-2-[(2,4-dimethoxyphenyl)methylamino]acetamide (CID 60977202) is N-carbamoyl-2-[(2,4-dimethoxyphenyl)methylamino]acetamide.
What is the SMILES notation for N-carbamoyl-2-[(2,4-dimethoxyphenyl)methylamino]acetamide?
The canonical SMILES for N-carbamoyl-2-[(2,4-dimethoxyphenyl)methylamino]acetamide is COc1ccc(CNCC(=O)NC(N)=O)c(OC)c1.
What is the InChIKey of N-carbamoyl-2-[(2,4-dimethoxyphenyl)methylamino]acetamide?
The InChIKey is XDJAPZHFYSZLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-18-9-4-3-8(10(5-9)19-2)6-14-7-11(16)15-12(13)17/h3-5,14H,6-7H2,1-2H3,(H3,13,15,16,17).
What are the key properties of N-carbamoyl-2-[(2,4-dimethoxyphenyl)methylamino]acetamide?
N-carbamoyl-2-[(2,4-dimethoxyphenyl)methylamino]acetamide has a molecular weight of 267.28 g/mol, XLogP of -0.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[(2,4-dimethoxyphenyl)methylamino]acetamide is sourced from PubChem (CID 60977202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).