N-[4-[1-(4-chlorophenyl)ethyl-methylamino]-4-oxobutyl]cyclopropanecarboxamide

C17H23ClN2O2 — CID 46431231

IUPACN-[4-[1-(4-chlorophenyl)ethyl-methylamino]-4-oxobutyl]cyclopropanecarboxamide
SMILESCC(c1ccc(Cl)cc1)N(C)C(=O)CCCNC(=O)C1CC1
InChIInChI=1S/C17H23ClN2O2/c1-12(13-7-9-15(18)10-8-13)20(2)16(21)4-3-11-19-17(22)14-5-6-14/h7-10,12,14H,3-6,11H2,1-2H3,(H,19,22)
InChIKeyMQULISIJCZBMCB-UHFFFAOYSA-N
MW322.84 g/mol
LogP3.17
Rot. Bonds7

About N-[4-[1-(4-chlorophenyl)ethyl-methylamino]-4-oxobutyl]cyclopropanecarboxamide

N-[4-[1-(4-chlorophenyl)ethyl-methylamino]-4-oxobutyl]cyclopropanecarboxamide (PubChem CID 46431231) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is N-[4-[1-(4-chlorophenyl)ethyl-methylamino]-4-oxobutyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[1-(4-chlorophenyl)ethyl-methylamino]-4-oxobutyl]cyclopropanecarboxamide
PubChem CID46431231
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC NameN-[4-[1-(4-chlorophenyl)ethyl-methylamino]-4-oxobutyl]cyclopropanecarboxamide
SMILESCC(c1ccc(Cl)cc1)N(C)C(=O)CCCNC(=O)C1CC1
InChIInChI=1S/C17H23ClN2O2/c1-12(13-7-9-15(18)10-8-13)20(2)16(21)4-3-11-19-17(22)14-5-6-14/h7-10,12,14H,3-6,11H2,1-2H3,(H,19,22)
InChIKeyMQULISIJCZBMCB-UHFFFAOYSA-N
XLogP3.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(carbamoylamino)-N-[1-(4-chlorophenyl)ethyl]-N-methylhexanamide
CID 47025634
4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylbutanamide
CID 54870716
N-[4-[1-hydroxypropan-2-yl(methyl)amino]-4-oxobutyl]cyclopropanecarboxamide
CID 109388484
N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 54870564
6-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylhexanamide
CID 54870705
4-chloro-N-[4-[[(1R)-1-(3,4-difluorophenyl)ethyl]-methylamino]-4-oxobutyl]benzamide
CID 31350252
4-chloro-N-[4-[[(1S)-1-(3,4-difluorophenyl)ethyl]-methylamino]-4-oxobutyl]benzamide
CID 31350253
N-[4-[cyclopropylmethyl-[(1R)-1-phenylethyl]amino]-4-oxobutyl]cyclopropanecarboxamide
CID 95293621
3-butyl-1-[1-(4-chlorophenyl)ethyl]-1-methylurea
CID 113221619
N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylbutanamide
CID 134003876
4-N-[(4-chlorophenyl)methyl]-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide
CID 109148509
N-[1-(4-chlorophenyl)ethyl]-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-methylpropanamide
CID 46598913

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(4-chlorophenyl)ethyl-methylamino]-4-oxobutyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[1-(4-chlorophenyl)ethyl-methylamino]-4-oxobutyl]cyclopropanecarboxamide (CID 46431231) is N-[4-[1-(4-chlorophenyl)ethyl-methylamino]-4-oxobutyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[1-(4-chlorophenyl)ethyl-methylamino]-4-oxobutyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[1-(4-chlorophenyl)ethyl-methylamino]-4-oxobutyl]cyclopropanecarboxamide is CC(c1ccc(Cl)cc1)N(C)C(=O)CCCNC(=O)C1CC1.
What is the InChIKey of N-[4-[1-(4-chlorophenyl)ethyl-methylamino]-4-oxobutyl]cyclopropanecarboxamide?
The InChIKey is MQULISIJCZBMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c1-12(13-7-9-15(18)10-8-13)20(2)16(21)4-3-11-19-17(22)14-5-6-14/h7-10,12,14H,3-6,11H2,1-2H3,(H,19,22).
What are the key properties of N-[4-[1-(4-chlorophenyl)ethyl-methylamino]-4-oxobutyl]cyclopropanecarboxamide?
N-[4-[1-(4-chlorophenyl)ethyl-methylamino]-4-oxobutyl]cyclopropanecarboxamide has a molecular weight of 322.84 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(4-chlorophenyl)ethyl-methylamino]-4-oxobutyl]cyclopropanecarboxamide is sourced from PubChem (CID 46431231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).