N-[2-[[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]ethyl]cyclopentanecarboxamide

C18H27N3O3 — CID 60612591

IUPACN-[2-[[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]ethyl]cyclopentanecarboxamide
SMILESCOc1cccc(CN(C)C(=O)NCCNC(=O)C2CCCC2)c1
InChIInChI=1S/C18H27N3O3/c1-21(13-14-6-5-9-16(12-14)24-2)18(23)20-11-10-19-17(22)15-7-3-4-8-15/h5-6,9,12,15H,3-4,7-8,10-11,13H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyLHDLFEHHZBAVTO-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.14
Rot. Bonds7

About N-[2-[[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]ethyl]cyclopentanecarboxamide

N-[2-[[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]ethyl]cyclopentanecarboxamide (PubChem CID 60612591) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[2-[[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]ethyl]cyclopentanecarboxamide
PubChem CID60612591
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-[2-[[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]ethyl]cyclopentanecarboxamide
SMILESCOc1cccc(CN(C)C(=O)NCCNC(=O)C2CCCC2)c1
InChIInChI=1S/C18H27N3O3/c1-21(13-14-6-5-9-16(12-14)24-2)18(23)20-11-10-19-17(22)15-7-3-4-8-15/h5-6,9,12,15H,3-4,7-8,10-11,13H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyLHDLFEHHZBAVTO-UHFFFAOYSA-N
XLogP2.14
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.14
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-(3-methoxyphenyl)ethyl]cyclohexanecarboxamide
CID 47041879
N-[4-(3-methoxyphenyl)butyl]cyclobutanecarboxamide
CID 22922635
N-[2-(cyclopentanecarbonylamino)ethyl]-3-methoxybenzamide
CID 134039540
N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]cyclohexanecarboxamide
CID 113055884
N-[(3-methoxyphenyl)methyl]-N-methylcyclopropanecarboxamide
CID 60630648
1-[(3-methoxyphenyl)methyl]-1-methyl-3-[2-[(S)-phenylsulfinyl]ethyl]urea
CID 95347885
N-[2-[[N-ethyl-N'-[(3-methoxyphenyl)methyl]carbamimidoyl]amino]ethyl]cyclohexanecarboxamide
CID 111250675
3-cyclopentyl-1-[(3-methoxyphenyl)methyl]-1-methylthiourea
CID 116507613
trans-(1R,2R)-N-[3-[(3-methoxyphenyl)methyl-methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 39910906
cis-(1R,2S)-N-[3-[(3-methoxyphenyl)methyl-methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 39910904
4-methoxy-N-[2-(3-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 112529647
N-[2-(N-(3-methoxyphenyl)anilino)ethyl]cyclobutanecarboxamide
CID 24750194

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]ethyl]cyclopentanecarboxamide (CID 60612591) is N-[2-[[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]ethyl]cyclopentanecarboxamide is COc1cccc(CN(C)C(=O)NCCNC(=O)C2CCCC2)c1.
What is the InChIKey of N-[2-[[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]ethyl]cyclopentanecarboxamide?
The InChIKey is LHDLFEHHZBAVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-21(13-14-6-5-9-16(12-14)24-2)18(23)20-11-10-19-17(22)15-7-3-4-8-15/h5-6,9,12,15H,3-4,7-8,10-11,13H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-[2-[[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]ethyl]cyclopentanecarboxamide?
N-[2-[[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]ethyl]cyclopentanecarboxamide has a molecular weight of 333.43 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 60612591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).