N-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide

C16H24N2O2 — CID 110437951

IUPACN-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccccc1C1(C(=O)NCCCN(C)C)CC1
InChIInChI=1S/C16H24N2O2/c1-18(2)12-6-11-17-15(19)16(9-10-16)13-7-4-5-8-14(13)20-3/h4-5,7-8H,6,9-12H2,1-3H3,(H,17,19)
InChIKeyGTCWZWTVNZPHEK-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.79
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide

N-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 110437951) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
PubChem CID110437951
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccccc1C1(C(=O)NCCCN(C)C)CC1
InChIInChI=1S/C16H24N2O2/c1-18(2)12-6-11-17-15(19)16(9-10-16)13-7-4-5-8-14(13)20-3/h4-5,7-8H,6,9-12H2,1-3H3,(H,17,19)
InChIKeyGTCWZWTVNZPHEK-UHFFFAOYSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.79
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-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)cyclobutane-1-carboxamide
CID 110438073
4-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]butanoic acid
CID 110466088
N-[3-(dimethylamino)propyl]-1-phenylcyclobutane-1-carboxamide
CID 110437520
1-N-[3-(dimethylamino)propyl]-1-N'-(2-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108973832
1-(2-methoxyphenyl)-N-prop-2-enylcyclobutane-1-carboxamide
CID 110486813
N-[2-(4-fluorophenyl)ethyl]-1-(2-methoxyphenyl)cyclobutane-1-carboxamide
CID 110438088
N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 30945125
2-[[1-(2-methoxyphenyl)cyclopentanecarbonyl]amino]acetic acid
CID 110466240
1-(2-methoxyphenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 51130985
N-[3-(dimethylamino)propyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210743
N-[3-(dimethylamino)propyl]-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 110698443
3-[2-[[1-(2-methoxyphenyl)cyclohexanecarbonyl]amino]ethyldisulfanyl]propanoic acid
CID 166422320

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide (CID 110437951) is N-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide is COc1ccccc1C1(C(=O)NCCCN(C)C)CC1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is GTCWZWTVNZPHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-18(2)12-6-11-17-15(19)16(9-10-16)13-7-4-5-8-14(13)20-3/h4-5,7-8H,6,9-12H2,1-3H3,(H,17,19).
What are the key properties of N-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide?
N-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 110437951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).