N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(3-methoxy-4-methylphenyl)cyclobutane-1-carboxamide

C18H26N2O3 — CID 120946527

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(3-methoxy-4-methylphenyl)cyclobutane-1-carboxamide
SMILESCOc1cc(C2(C(=O)NCC3CNCC3O)CCC2)ccc1C
InChIInChI=1S/C18H26N2O3/c1-12-4-5-14(8-16(12)23-2)18(6-3-7-18)17(22)20-10-13-9-19-11-15(13)21/h4-5,8,13,15,19,21H,3,6-7,9-11H2,1-2H3,(H,20,22)
InChIKeyKZBLFHVREHOLDK-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.12
Rot. Bonds5

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(3-methoxy-4-methylphenyl)cyclobutane-1-carboxamide

N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(3-methoxy-4-methylphenyl)cyclobutane-1-carboxamide (PubChem CID 120946527) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(3-methoxy-4-methylphenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(3-methoxy-4-methylphenyl)cyclobutane-1-carboxamide
PubChem CID120946527
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(3-methoxy-4-methylphenyl)cyclobutane-1-carboxamide
SMILESCOc1cc(C2(C(=O)NCC3CNCC3O)CCC2)ccc1C
InChIInChI=1S/C18H26N2O3/c1-12-4-5-14(8-16(12)23-2)18(6-3-7-18)17(22)20-10-13-9-19-11-15(13)21/h4-5,8,13,15,19,21H,3,6-7,9-11H2,1-2H3,(H,20,22)
InChIKeyKZBLFHVREHOLDK-UHFFFAOYSA-N
XLogP1.12
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(3-methoxy-4-methylphenyl)cyclobutane-1-carboxamide with MolForge

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Related Compounds

1-(3-methoxy-4-methylphenyl)-N-(2-piperidin-3-ylethyl)cyclopentane-1-carboxamide
CID 119556531
1-(3-methoxy-4-methylphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclobutane-1-carboxamide
CID 120890717
1-(3-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide;hydrochloride
CID 120943827
N-(3-aminobutyl)-1-(3-methoxy-4-methylphenyl)cyclopentane-1-carboxamide
CID 119496437
1-(4-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 120946202
1-(3-methoxy-4-methylphenyl)-N-[2-(methylamino)propyl]cyclopropane-1-carboxamide
CID 120828561
cis-(1S,3R)-3-[[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120674963
1-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 16769454
1-[1-(3-methoxy-4-methylphenyl)cyclobutanecarbonyl]piperidine-4-carboxylic acid
CID 119349942
1-(3-methoxy-4-methylphenyl)-N-(2-methylpiperidin-4-yl)cyclopentane-1-carboxamide
CID 120598802
1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid
CID 16770133
1-(3-methoxy-4-methylphenyl)-N-(2-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride
CID 120598801

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(3-methoxy-4-methylphenyl)cyclobutane-1-carboxamide?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(3-methoxy-4-methylphenyl)cyclobutane-1-carboxamide (CID 120946527) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(3-methoxy-4-methylphenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(3-methoxy-4-methylphenyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(3-methoxy-4-methylphenyl)cyclobutane-1-carboxamide is COc1cc(C2(C(=O)NCC3CNCC3O)CCC2)ccc1C.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(3-methoxy-4-methylphenyl)cyclobutane-1-carboxamide?
The InChIKey is KZBLFHVREHOLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-12-4-5-14(8-16(12)23-2)18(6-3-7-18)17(22)20-10-13-9-19-11-15(13)21/h4-5,8,13,15,19,21H,3,6-7,9-11H2,1-2H3,(H,20,22).
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(3-methoxy-4-methylphenyl)cyclobutane-1-carboxamide?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(3-methoxy-4-methylphenyl)cyclobutane-1-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(3-methoxy-4-methylphenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 120946527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).