N-[2-[(3,5-dimethoxyphenyl)methylamino]ethyl]cyclopropanecarboxamide

C15H22N2O3 — CID 47112234

IUPACN-[2-[(3,5-dimethoxyphenyl)methylamino]ethyl]cyclopropanecarboxamide
SMILESCOc1cc(CNCCNC(=O)C2CC2)cc(OC)c1
InChIInChI=1S/C15H22N2O3/c1-19-13-7-11(8-14(9-13)20-2)10-16-5-6-17-15(18)12-3-4-12/h7-9,12,16H,3-6,10H2,1-2H3,(H,17,18)
InChIKeyXNTADQZMBHZINH-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.32
Rot. Bonds8

About N-[2-[(3,5-dimethoxyphenyl)methylamino]ethyl]cyclopropanecarboxamide

N-[2-[(3,5-dimethoxyphenyl)methylamino]ethyl]cyclopropanecarboxamide (PubChem CID 47112234) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[2-[(3,5-dimethoxyphenyl)methylamino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(3,5-dimethoxyphenyl)methylamino]ethyl]cyclopropanecarboxamide
PubChem CID47112234
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[2-[(3,5-dimethoxyphenyl)methylamino]ethyl]cyclopropanecarboxamide
SMILESCOc1cc(CNCCNC(=O)C2CC2)cc(OC)c1
InChIInChI=1S/C15H22N2O3/c1-19-13-7-11(8-14(9-13)20-2)10-16-5-6-17-15(18)12-3-4-12/h7-9,12,16H,3-6,10H2,1-2H3,(H,17,18)
InChIKeyXNTADQZMBHZINH-UHFFFAOYSA-N
XLogP1.32
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.32
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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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-dimethoxyphenyl)methylamino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(3,5-dimethoxyphenyl)methylamino]ethyl]cyclopropanecarboxamide (CID 47112234) is N-[2-[(3,5-dimethoxyphenyl)methylamino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(3,5-dimethoxyphenyl)methylamino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(3,5-dimethoxyphenyl)methylamino]ethyl]cyclopropanecarboxamide is COc1cc(CNCCNC(=O)C2CC2)cc(OC)c1.
What is the InChIKey of N-[2-[(3,5-dimethoxyphenyl)methylamino]ethyl]cyclopropanecarboxamide?
The InChIKey is XNTADQZMBHZINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-19-13-7-11(8-14(9-13)20-2)10-16-5-6-17-15(18)12-3-4-12/h7-9,12,16H,3-6,10H2,1-2H3,(H,17,18).
What are the key properties of N-[2-[(3,5-dimethoxyphenyl)methylamino]ethyl]cyclopropanecarboxamide?
N-[2-[(3,5-dimethoxyphenyl)methylamino]ethyl]cyclopropanecarboxamide has a molecular weight of 278.35 g/mol, XLogP of 1.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,5-dimethoxyphenyl)methylamino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 47112234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).