N-[4-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-4-oxobutyl]cyclopropanecarboxamide

C18H24F2N2O4 — CID 46438041

IUPACN-[4-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-4-oxobutyl]cyclopropanecarboxamide
SMILESCOc1cc(CCNC(=O)CCCNC(=O)C2CC2)ccc1OC(F)F
InChIInChI=1S/C18H24F2N2O4/c1-25-15-11-12(4-7-14(15)26-18(19)20)8-10-21-16(23)3-2-9-22-17(24)13-5-6-13/h4,7,11,13,18H,2-3,5-6,8-10H2,1H3,(H,21,23)(H,22,24)
InChIKeyUFXPVYCEHQPAKB-UHFFFAOYSA-N
MW370.40 g/mol
LogP2.26
Rot. Bonds11

About N-[4-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-4-oxobutyl]cyclopropanecarboxamide

N-[4-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-4-oxobutyl]cyclopropanecarboxamide (PubChem CID 46438041) has the molecular formula C18H24F2N2O4 and a molecular weight of 370.40 g/mol. Its IUPAC name is N-[4-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-4-oxobutyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-4-oxobutyl]cyclopropanecarboxamide
PubChem CID46438041
Molecular FormulaC18H24F2N2O4
Molecular Weight370.40 g/mol
Exact Mass370.17
IUPAC NameN-[4-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-4-oxobutyl]cyclopropanecarboxamide
SMILESCOc1cc(CCNC(=O)CCCNC(=O)C2CC2)ccc1OC(F)F
InChIInChI=1S/C18H24F2N2O4/c1-25-15-11-12(4-7-14(15)26-18(19)20)8-10-21-16(23)3-2-9-22-17(24)13-5-6-13/h4,7,11,13,18H,2-3,5-6,8-10H2,1H3,(H,21,23)(H,22,24)
InChIKeyUFXPVYCEHQPAKB-UHFFFAOYSA-N
XLogP2.26
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 52.26
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-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-(3,4-dimethylphenyl)sulfanylpropanamide
CID 31788051
9-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120988428
2-(cyclopropylmethylamino)-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]acetamide;hydrochloride
CID 119767848
1-amino-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]cyclopropane-1-carboxamide
CID 65464069
N-[4-[2-(2-methoxyphenyl)ethylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 39930096
N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]cyclohexanecarboxamide
CID 108538969
4-bromo-N-[3-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-3-oxopropyl]benzamide
CID 26443729
N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 3901143
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 24549061
N-[3-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 8528959
4-(difluoromethoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxybenzamide
CID 9246064
2-(1-adamantylsulfanyl)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]acetamide
CID 8513878

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-4-oxobutyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-4-oxobutyl]cyclopropanecarboxamide (CID 46438041) is N-[4-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-4-oxobutyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-4-oxobutyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-4-oxobutyl]cyclopropanecarboxamide is COc1cc(CCNC(=O)CCCNC(=O)C2CC2)ccc1OC(F)F.
What is the InChIKey of N-[4-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-4-oxobutyl]cyclopropanecarboxamide?
The InChIKey is UFXPVYCEHQPAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N2O4/c1-25-15-11-12(4-7-14(15)26-18(19)20)8-10-21-16(23)3-2-9-22-17(24)13-5-6-13/h4,7,11,13,18H,2-3,5-6,8-10H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[4-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-4-oxobutyl]cyclopropanecarboxamide?
N-[4-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-4-oxobutyl]cyclopropanecarboxamide has a molecular weight of 370.40 g/mol, XLogP of 2.26, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-4-oxobutyl]cyclopropanecarboxamide is sourced from PubChem (CID 46438041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).