N-[2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl]cyclopropanecarboxamide

C16H24N2O3 — CID 115706429

IUPACN-[2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl]cyclopropanecarboxamide
SMILESCOc1ccc(C(C)NCCNC(=O)C2CC2)c(OC)c1
InChIInChI=1S/C16H24N2O3/c1-11(17-8-9-18-16(19)12-4-5-12)14-7-6-13(20-2)10-15(14)21-3/h6-7,10-12,17H,4-5,8-9H2,1-3H3,(H,18,19)
InChIKeyWZPLNHUJAIUVJM-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.88
Rot. Bonds8

About N-[2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl]cyclopropanecarboxamide

N-[2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl]cyclopropanecarboxamide (PubChem CID 115706429) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl]cyclopropanecarboxamide
PubChem CID115706429
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl]cyclopropanecarboxamide
SMILESCOc1ccc(C(C)NCCNC(=O)C2CC2)c(OC)c1
InChIInChI=1S/C16H24N2O3/c1-11(17-8-9-18-16(19)12-4-5-12)14-7-6-13(20-2)10-15(14)21-3/h6-7,10-12,17H,4-5,8-9H2,1-3H3,(H,18,19)
InChIKeyWZPLNHUJAIUVJM-UHFFFAOYSA-N
XLogP1.88
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[1-(2-methoxy-5-methylphenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 115706375
2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl carbamate
CID 83211772
4-[1-(2,4-dimethoxyphenyl)ethylamino]butan-2-ol
CID 64910690
N-[2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]cyclopropanecarboxamide
CID 115706324
N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide
CID 47161024
N-[2-[1-(2-hydroxyphenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 113383761
1-cyclopropyl-2-[1-(2,4-dimethoxyphenyl)ethylamino]ethanol
CID 63294530
N-[2-[1-(2-chlorophenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 113219502
3-[1-(2,4-dimethoxyphenyl)ethylamino]propanenitrile
CID 43207694
(3R)-N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-1,1-dioxothiolane-3-carboxamide
CID 94045256
(E)-N-[1-(2,4-dimethoxyphenyl)ethyl]pent-3-en-1-amine
CID 113348558
3-[2-[1-(2,5-dimethoxyphenyl)ethylamino]ethyl]-1,1-dimethylurea
CID 83112283

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl]cyclopropanecarboxamide (CID 115706429) is N-[2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl]cyclopropanecarboxamide is COc1ccc(C(C)NCCNC(=O)C2CC2)c(OC)c1.
What is the InChIKey of N-[2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl]cyclopropanecarboxamide?
The InChIKey is WZPLNHUJAIUVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11(17-8-9-18-16(19)12-4-5-12)14-7-6-13(20-2)10-15(14)21-3/h6-7,10-12,17H,4-5,8-9H2,1-3H3,(H,18,19).
What are the key properties of N-[2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl]cyclopropanecarboxamide?
N-[2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl]cyclopropanecarboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 115706429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).