N-[1-(3,4-dimethoxyphenyl)cyclopropyl]pentanamide

C16H23NO3 — CID 110479476

IUPACN-[1-(3,4-dimethoxyphenyl)cyclopropyl]pentanamide
SMILESCCCCC(=O)NC1(c2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C16H23NO3/c1-4-5-6-15(18)17-16(9-10-16)12-7-8-13(19-2)14(11-12)20-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,17,18)
InChIKeyXGQITXPLRODXSG-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.00
Rot. Bonds7

About N-[1-(3,4-dimethoxyphenyl)cyclopropyl]pentanamide

N-[1-(3,4-dimethoxyphenyl)cyclopropyl]pentanamide (PubChem CID 110479476) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)cyclopropyl]pentanamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)cyclopropyl]pentanamide
PubChem CID110479476
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-[1-(3,4-dimethoxyphenyl)cyclopropyl]pentanamide
SMILESCCCCC(=O)NC1(c2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C16H23NO3/c1-4-5-6-15(18)17-16(9-10-16)12-7-8-13(19-2)14(11-12)20-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,17,18)
InChIKeyXGQITXPLRODXSG-UHFFFAOYSA-N
XLogP3.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)cyclopropyl]-2-(4-methylphenyl)acetamide
CID 113091414
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]pentanamide
CID 112503009
3-(3,4-dimethoxyphenyl)-N-(1-phenylcyclobutyl)propanamide
CID 51264432
1-[1-(3,4-dimethoxyphenyl)cyclopropyl]-3-[(2-fluorophenyl)methyl]urea
CID 113215777
1-[1-(3,4-dimethoxyphenyl)cyclopropyl]-3-(3-fluorophenyl)urea
CID 113215891
N-[1-(4-methoxyphenyl)cyclopropyl]propanamide
CID 113091106
1-(2,3-dichlorophenyl)-3-[1-(3,4-dimethoxyphenyl)cyclopropyl]urea
CID 113215905
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]pentanamide
CID 5381106
4-amino-N-[1-(3-methoxyphenyl)cyclopentyl]butanamide
CID 110460844
N-[4-[(3,4-dimethoxyphenyl)methylamino]phenyl]pentanamide
CID 112984141
N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide
CID 5073739
N-[(5-ethyl-2-methoxyphenyl)methyl]pentanamide
CID 110781781

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)cyclopropyl]pentanamide?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)cyclopropyl]pentanamide (CID 110479476) is N-[1-(3,4-dimethoxyphenyl)cyclopropyl]pentanamide.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)cyclopropyl]pentanamide?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)cyclopropyl]pentanamide is CCCCC(=O)NC1(c2ccc(OC)c(OC)c2)CC1.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)cyclopropyl]pentanamide?
The InChIKey is XGQITXPLRODXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-4-5-6-15(18)17-16(9-10-16)12-7-8-13(19-2)14(11-12)20-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,17,18).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)cyclopropyl]pentanamide?
N-[1-(3,4-dimethoxyphenyl)cyclopropyl]pentanamide has a molecular weight of 277.36 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)cyclopropyl]pentanamide is sourced from PubChem (CID 110479476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).