N-cyclopropyl-2-[(2,3,4-trimethoxyphenyl)methylamino]acetamide

C15H22N2O4 — CID 43430495

IUPACN-cyclopropyl-2-[(2,3,4-trimethoxyphenyl)methylamino]acetamide
SMILESCOc1ccc(CNCC(=O)NC2CC2)c(OC)c1OC
InChIInChI=1S/C15H22N2O4/c1-19-12-7-4-10(14(20-2)15(12)21-3)8-16-9-13(18)17-11-5-6-11/h4,7,11,16H,5-6,8-9H2,1-3H3,(H,17,18)
InChIKeyYNIZBRDJKHYNTH-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.08
Rot. Bonds8

About N-cyclopropyl-2-[(2,3,4-trimethoxyphenyl)methylamino]acetamide

N-cyclopropyl-2-[(2,3,4-trimethoxyphenyl)methylamino]acetamide (PubChem CID 43430495) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-cyclopropyl-2-[(2,3,4-trimethoxyphenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(2,3,4-trimethoxyphenyl)methylamino]acetamide
PubChem CID43430495
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN-cyclopropyl-2-[(2,3,4-trimethoxyphenyl)methylamino]acetamide
SMILESCOc1ccc(CNCC(=O)NC2CC2)c(OC)c1OC
InChIInChI=1S/C15H22N2O4/c1-19-12-7-4-10(14(20-2)15(12)21-3)8-16-9-13(18)17-11-5-6-11/h4,7,11,16H,5-6,8-9H2,1-3H3,(H,17,18)
InChIKeyYNIZBRDJKHYNTH-UHFFFAOYSA-N
XLogP1.08
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-[(2,5-dimethoxyphenyl)methylamino]acetamide
CID 43401917
N-propan-2-yl-2-[(2,3,4-trimethoxyphenyl)methylamino]acetamide
CID 43400025
2-(cyclopropylmethylamino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide;hydrochloride
CID 119716059
N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 8531905
N,N-dimethyl-2-[(2,3,4-trimethoxyphenyl)methylamino]acetamide
CID 43214462
N-cyclopropyl-2-[(4,5-dimethoxy-2-methylsulfanylphenyl)methylamino]acetamide
CID 64988148
N-cyclopropyl-2-[(4-hydroxy-3-methoxyphenyl)methylamino]acetamide
CID 43329464
N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 18425632
4-[(2,3,4-trimethoxyphenyl)methylamino]butanoic acid
CID 60782759
N-[(1R,2S)-2-methylcyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 9084467
N-[(2,3,4-trimethoxyphenyl)methyl]cyclopentanecarboxamide
CID 95945674
N-cyclopropyl-2-[2-methoxy-6-(propylaminomethyl)phenoxy]acetamide
CID 43472022

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(2,3,4-trimethoxyphenyl)methylamino]acetamide?
The IUPAC name of N-cyclopropyl-2-[(2,3,4-trimethoxyphenyl)methylamino]acetamide (CID 43430495) is N-cyclopropyl-2-[(2,3,4-trimethoxyphenyl)methylamino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(2,3,4-trimethoxyphenyl)methylamino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(2,3,4-trimethoxyphenyl)methylamino]acetamide is COc1ccc(CNCC(=O)NC2CC2)c(OC)c1OC.
What is the InChIKey of N-cyclopropyl-2-[(2,3,4-trimethoxyphenyl)methylamino]acetamide?
The InChIKey is YNIZBRDJKHYNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-19-12-7-4-10(14(20-2)15(12)21-3)8-16-9-13(18)17-11-5-6-11/h4,7,11,16H,5-6,8-9H2,1-3H3,(H,17,18).
What are the key properties of N-cyclopropyl-2-[(2,3,4-trimethoxyphenyl)methylamino]acetamide?
N-cyclopropyl-2-[(2,3,4-trimethoxyphenyl)methylamino]acetamide has a molecular weight of 294.35 g/mol, XLogP of 1.08, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(2,3,4-trimethoxyphenyl)methylamino]acetamide is sourced from PubChem (CID 43430495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).