1-(3,4-dimethoxyphenyl)-N-(3-formamidopropyl)cyclopropane-1-carboxamide

C16H22N2O4 — CID 110436752

IUPAC1-(3,4-dimethoxyphenyl)-N-(3-formamidopropyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)NCCCNC=O)CC2)cc1OC
InChIInChI=1S/C16H22N2O4/c1-21-13-5-4-12(10-14(13)22-2)16(6-7-16)15(20)18-9-3-8-17-11-19/h4-5,10-11H,3,6-9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyAAIARQZIBQPBBB-UHFFFAOYSA-N
MW306.36 g/mol
LogP0.99
Rot. Bonds9

About 1-(3,4-dimethoxyphenyl)-N-(3-formamidopropyl)cyclopropane-1-carboxamide

1-(3,4-dimethoxyphenyl)-N-(3-formamidopropyl)cyclopropane-1-carboxamide (PubChem CID 110436752) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-(3-formamidopropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-(3-formamidopropyl)cyclopropane-1-carboxamide
PubChem CID110436752
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name1-(3,4-dimethoxyphenyl)-N-(3-formamidopropyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)NCCCNC=O)CC2)cc1OC
InChIInChI=1S/C16H22N2O4/c1-21-13-5-4-12(10-14(13)22-2)16(6-7-16)15(20)18-9-3-8-17-11-19/h4-5,10-11H,3,6-9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyAAIARQZIBQPBBB-UHFFFAOYSA-N
XLogP0.99
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-(2-hydroxypropyl)cyclopropane-1-carboxamide
CID 110438039
N-[3-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]propyl]formamide
CID 108891394
1-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
CID 110438011
1-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 110438018
N-[2-(2,4-dichlorophenyl)ethyl]-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 113198580
1-(3,4-dimethoxyphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide
CID 110438052
1-(3,4-dimethoxyphenyl)-N-[2-(tetrazol-1-yl)ethyl]cyclopentane-1-carboxamide
CID 118763273
N-(4-acetylphenyl)-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 110438984
1-(4-methoxyphenyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide
CID 110485708
N-(2,6-difluorophenyl)-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 110439004
1-(3-methoxy-4-methylphenyl)-N-[2-(methylamino)propyl]cyclopropane-1-carboxamide
CID 120828561
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(3-methoxy-4-methylphenyl)cyclobutane-1-carboxamide
CID 120946527

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-(3-formamidopropyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-(3-formamidopropyl)cyclopropane-1-carboxamide (CID 110436752) is 1-(3,4-dimethoxyphenyl)-N-(3-formamidopropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-(3-formamidopropyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-(3-formamidopropyl)cyclopropane-1-carboxamide is COc1ccc(C2(C(=O)NCCCNC=O)CC2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-(3-formamidopropyl)cyclopropane-1-carboxamide?
The InChIKey is AAIARQZIBQPBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-21-13-5-4-12(10-14(13)22-2)16(6-7-16)15(20)18-9-3-8-17-11-19/h4-5,10-11H,3,6-9H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-(3-formamidopropyl)cyclopropane-1-carboxamide?
1-(3,4-dimethoxyphenyl)-N-(3-formamidopropyl)cyclopropane-1-carboxamide has a molecular weight of 306.36 g/mol, XLogP of 0.99, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-(3-formamidopropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 110436752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).