N-[2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]cyclopropanecarboxamide

C16H24N2O2 — CID 115706324

IUPACN-[2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]cyclopropanecarboxamide
SMILESCOc1ccc(CC(C)NCCNC(=O)C2CC2)cc1
InChIInChI=1S/C16H24N2O2/c1-12(11-13-3-7-15(20-2)8-4-13)17-9-10-18-16(19)14-5-6-14/h3-4,7-8,12,14,17H,5-6,9-11H2,1-2H3,(H,18,19)
InChIKeyFTCDGUGMPUDOKX-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.74
Rot. Bonds8

About N-[2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]cyclopropanecarboxamide

N-[2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]cyclopropanecarboxamide (PubChem CID 115706324) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]cyclopropanecarboxamide
PubChem CID115706324
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]cyclopropanecarboxamide
SMILESCOc1ccc(CC(C)NCCNC(=O)C2CC2)cc1
InChIInChI=1S/C16H24N2O2/c1-12(11-13-3-7-15(20-2)8-4-13)17-9-10-18-16(19)14-5-6-14/h3-4,7-8,12,14,17H,5-6,9-11H2,1-2H3,(H,18,19)
InChIKeyFTCDGUGMPUDOKX-UHFFFAOYSA-N
XLogP1.74
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[1-(4-chlorophenyl)propan-2-ylamino]ethyl]cyclopropanecarboxamide
CID 103910232
N-[2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 115706429
4-[2-(4-methoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672169
N-[2-(4-methoxyphenoxy)ethyl]cyclopropanecarboxamide
CID 8935452
(2S)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962702
(2R)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962704
N-(2-methoxyethyl)-3-[1-(4-methoxyphenyl)propan-2-ylamino]propanamide
CID 115711920
N-[2-[[N-ethyl-N'-[(4-methoxyphenyl)methyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111181274
N-[2-[(3,5-dimethoxyphenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 47112234
N-tert-butyl-3-[1-(4-methoxyphenyl)propan-2-ylamino]propanamide
CID 115889425
4-N-(4-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144385
N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide
CID 115571333

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]cyclopropanecarboxamide (CID 115706324) is N-[2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]cyclopropanecarboxamide is COc1ccc(CC(C)NCCNC(=O)C2CC2)cc1.
What is the InChIKey of N-[2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]cyclopropanecarboxamide?
The InChIKey is FTCDGUGMPUDOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(11-13-3-7-15(20-2)8-4-13)17-9-10-18-16(19)14-5-6-14/h3-4,7-8,12,14,17H,5-6,9-11H2,1-2H3,(H,18,19).
What are the key properties of N-[2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]cyclopropanecarboxamide?
N-[2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]cyclopropanecarboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 115706324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).