N-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-1-methylcyclopentane-1-carboxamide

C19H28ClNO3 — CID 100692486

IUPACN-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-1-methylcyclopentane-1-carboxamide
SMILESCOC(C)(C)CCOc1ccc(NC(=O)C2(C)CCCC2)cc1Cl
InChIInChI=1S/C19H28ClNO3/c1-18(2,23-4)11-12-24-16-8-7-14(13-15(16)20)21-17(22)19(3)9-5-6-10-19/h7-8,13H,5-6,9-12H2,1-4H3,(H,21,22)
InChIKeyUMPRNWLZVXNRID-UHFFFAOYSA-N
MW353.89 g/mol
LogP5.05
Rot. Bonds7

About N-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-1-methylcyclopentane-1-carboxamide

N-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-1-methylcyclopentane-1-carboxamide (PubChem CID 100692486) has the molecular formula C19H28ClNO3 and a molecular weight of 353.89 g/mol. Its IUPAC name is N-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-1-methylcyclopentane-1-carboxamide
PubChem CID100692486
Molecular FormulaC19H28ClNO3
Molecular Weight353.89 g/mol
Exact Mass353.18
IUPAC NameN-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-1-methylcyclopentane-1-carboxamide
SMILESCOC(C)(C)CCOc1ccc(NC(=O)C2(C)CCCC2)cc1Cl
InChIInChI=1S/C19H28ClNO3/c1-18(2,23-4)11-12-24-16-8-7-14(13-15(16)20)21-17(22)19(3)9-5-6-10-19/h7-8,13H,5-6,9-12H2,1-4H3,(H,21,22)
InChIKeyUMPRNWLZVXNRID-UHFFFAOYSA-N
XLogP5.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.89
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-1-methylcyclopentane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-chloro-4-(2-methoxyethoxy)phenyl]-1-methylcyclopentane-1-carboxamide
CID 95161970
cis-(1S,3S)-N-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100707659
trans-(1S,3R)-N-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100707641
trans-(1S,3R)-N-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-1-ethoxy-3-methylcyclohexane-1-carboxamide
CID 100733839
N-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-2-methoxy-2-methylbutanamide
CID 133245895
N-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-2-methoxy-2-methylheptanamide
CID 133246109
(2R)-N-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-2-methyl-2-propoxyhexanamide
CID 100742589
(2S)-N-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-2-ethoxy-2-methylhexanamide
CID 100727907
N-(3-chloro-4-propoxyphenyl)-1-propoxycyclopentane-1-carboxamide
CID 100712883
methyl 2-butoxy-5-[(1-methylcyclopentanecarbonyl)amino]benzoate
CID 100751768
N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120645221
N-(4-butoxy-3-cyanophenyl)-1-methylcyclopentane-1-carboxamide
CID 100751895

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-1-methylcyclopentane-1-carboxamide?
The IUPAC name of N-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-1-methylcyclopentane-1-carboxamide (CID 100692486) is N-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-1-methylcyclopentane-1-carboxamide is COC(C)(C)CCOc1ccc(NC(=O)C2(C)CCCC2)cc1Cl.
What is the InChIKey of N-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-1-methylcyclopentane-1-carboxamide?
The InChIKey is UMPRNWLZVXNRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClNO3/c1-18(2,23-4)11-12-24-16-8-7-14(13-15(16)20)21-17(22)19(3)9-5-6-10-19/h7-8,13H,5-6,9-12H2,1-4H3,(H,21,22).
What are the key properties of N-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-1-methylcyclopentane-1-carboxamide?
N-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-1-methylcyclopentane-1-carboxamide has a molecular weight of 353.89 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 100692486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).