N-cyclopropyl-3-methoxy-5-(4-methoxybutyl)benzamide

C16H23NO3 — CID 70313971

IUPACN-cyclopropyl-3-methoxy-5-(4-methoxybutyl)benzamide
SMILESCOCCCCc1cc(OC)cc(C(=O)NC2CC2)c1
InChIInChI=1S/C16H23NO3/c1-19-8-4-3-5-12-9-13(11-15(10-12)20-2)16(18)17-14-6-7-14/h9-11,14H,3-8H2,1-2H3,(H,17,18)
InChIKeyNCBZIHVXBRRTRV-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.56
Rot. Bonds8

About N-cyclopropyl-3-methoxy-5-(4-methoxybutyl)benzamide

N-cyclopropyl-3-methoxy-5-(4-methoxybutyl)benzamide (PubChem CID 70313971) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-cyclopropyl-3-methoxy-5-(4-methoxybutyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-methoxy-5-(4-methoxybutyl)benzamide
PubChem CID70313971
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-cyclopropyl-3-methoxy-5-(4-methoxybutyl)benzamide
SMILESCOCCCCc1cc(OC)cc(C(=O)NC2CC2)c1
InChIInChI=1S/C16H23NO3/c1-19-8-4-3-5-12-9-13(11-15(10-12)20-2)16(18)17-14-6-7-14/h9-11,14H,3-8H2,1-2H3,(H,17,18)
InChIKeyNCBZIHVXBRRTRV-UHFFFAOYSA-N
XLogP2.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-3,5-dimethoxybenzamide
CID 2303723
3-amino-N-(4-hydroxycyclohexyl)-5-methoxybenzamide
CID 81090332
N-cyclopropyl-3-methoxybenzamide
CID 900156
2-bromo-N-cyclopropyl-3,5-bis(3-methoxypropyl)benzamide
CID 66896622
3,5-dimethoxy-N-(1-propylpiperidin-4-yl)benzamide
CID 17250187
4-[(3,5-dimethoxybenzoyl)amino]-N,N-diethylpiperidine-1-carboxamide
CID 108559836
4-[[3-(3-methoxypropoxy)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119229681
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethoxybenzamide;hydrochloride
CID 119455135
N-cyclopropyl-2-[3-(3,5-dimethoxyphenyl)propanoylamino]benzamide
CID 26707492
3-methoxy-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 71784695
3-(3-methoxypropoxy)-N-piperidin-4-ylbenzamide
CID 119386846
N-[3-(cyclohexylamino)-3-oxopropyl]-3,5-dimethoxybenzamide
CID 17191583

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-methoxy-5-(4-methoxybutyl)benzamide?
The IUPAC name of N-cyclopropyl-3-methoxy-5-(4-methoxybutyl)benzamide (CID 70313971) is N-cyclopropyl-3-methoxy-5-(4-methoxybutyl)benzamide.
What is the SMILES notation for N-cyclopropyl-3-methoxy-5-(4-methoxybutyl)benzamide?
The canonical SMILES for N-cyclopropyl-3-methoxy-5-(4-methoxybutyl)benzamide is COCCCCc1cc(OC)cc(C(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-3-methoxy-5-(4-methoxybutyl)benzamide?
The InChIKey is NCBZIHVXBRRTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-19-8-4-3-5-12-9-13(11-15(10-12)20-2)16(18)17-14-6-7-14/h9-11,14H,3-8H2,1-2H3,(H,17,18).
What are the key properties of N-cyclopropyl-3-methoxy-5-(4-methoxybutyl)benzamide?
N-cyclopropyl-3-methoxy-5-(4-methoxybutyl)benzamide has a molecular weight of 277.36 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-methoxy-5-(4-methoxybutyl)benzamide is sourced from PubChem (CID 70313971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).