N-[4-(dimethylamino)butyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide

C17H26N2O2 — CID 84563569

IUPACN-[4-(dimethylamino)butyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C2CC2C(=O)NCCCCN(C)C)cc1
InChIInChI=1S/C17H26N2O2/c1-19(2)11-5-4-10-18-17(20)16-12-15(16)13-6-8-14(21-3)9-7-13/h6-9,15-16H,4-5,10-12H2,1-3H3,(H,18,20)
InChIKeyBOJQSIXXWHNBDW-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.26
Rot. Bonds8

About N-[4-(dimethylamino)butyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide

N-[4-(dimethylamino)butyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 84563569) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[4-(dimethylamino)butyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)butyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
PubChem CID84563569
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[4-(dimethylamino)butyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C2CC2C(=O)NCCCCN(C)C)cc1
InChIInChI=1S/C17H26N2O2/c1-19(2)11-5-4-10-18-17(20)16-12-15(16)13-6-8-14(21-3)9-7-13/h6-9,15-16H,4-5,10-12H2,1-3H3,(H,18,20)
InChIKeyBOJQSIXXWHNBDW-UHFFFAOYSA-N
XLogP2.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.26
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

cis-(1S,2R)-N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 124795448
cis-(1S,2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 95292520
cis-(1S,2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 95292258
cis-(1S,2R)-N-[2-(dimethylamino)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 40540857
trans-(1R,2R)-N-[2-(4-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 896868
(2R,3R)-N-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 95740265
trans-(1S,2S)-N-[2-(benzylamino)-2-oxoethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 94824019
trans-(1R,2R)-N-[2-(benzylamino)-2-oxoethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 94824020
2-amino-N-[4-(dimethylamino)butyl]cyclopropane-1-carboxamide
CID 114995087
N-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 112767965
cis-(1S,2R)-2-(4-methoxyphenyl)-N-(2-quinolin-8-ylethyl)cyclopropane-1-carboxamide
CID 95303794
trans-(1R,2R)-N-[(2,5-difluorophenyl)methyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 136583904

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)butyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[4-(dimethylamino)butyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide (CID 84563569) is N-[4-(dimethylamino)butyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)butyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)butyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide is COc1ccc(C2CC2C(=O)NCCCCN(C)C)cc1.
What is the InChIKey of N-[4-(dimethylamino)butyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is BOJQSIXXWHNBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-19(2)11-5-4-10-18-17(20)16-12-15(16)13-6-8-14(21-3)9-7-13/h6-9,15-16H,4-5,10-12H2,1-3H3,(H,18,20).
What are the key properties of N-[4-(dimethylamino)butyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide?
N-[4-(dimethylamino)butyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)butyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 84563569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).