2,2-dimethyl-N-[4-(N-methylanilino)butyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

C21H32N2O — CID 60566304

IUPAC2,2-dimethyl-N-[4-(N-methylanilino)butyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCC(C)=CC1C(C(=O)NCCCCN(C)c2ccccc2)C1(C)C
InChIInChI=1S/C21H32N2O/c1-16(2)15-18-19(21(18,3)4)20(24)22-13-9-10-14-23(5)17-11-7-6-8-12-17/h6-8,11-12,15,18-19H,9-10,13-14H2,1-5H3,(H,22,24)
InChIKeyZCPAHDQDKSFPLY-UHFFFAOYSA-N
MW328.50 g/mol
LogP4.26
Rot. Bonds8

About 2,2-dimethyl-N-[4-(N-methylanilino)butyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

2,2-dimethyl-N-[4-(N-methylanilino)butyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (PubChem CID 60566304) has the molecular formula C21H32N2O and a molecular weight of 328.50 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-(N-methylanilino)butyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-(N-methylanilino)butyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
PubChem CID60566304
Molecular FormulaC21H32N2O
Molecular Weight328.50 g/mol
Exact Mass328.25
IUPAC Name2,2-dimethyl-N-[4-(N-methylanilino)butyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCC(C)=CC1C(C(=O)NCCCCN(C)c2ccccc2)C1(C)C
InChIInChI=1S/C21H32N2O/c1-16(2)15-18-19(21(18,3)4)20(24)22-13-9-10-14-23(5)17-11-7-6-8-12-17/h6-8,11-12,15,18-19H,9-10,13-14H2,1-5H3,(H,22,24)
InChIKeyZCPAHDQDKSFPLY-UHFFFAOYSA-N
XLogP4.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-3-[3-(N-methylanilino)propyl]urea
CID 3497237
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 111433877
cis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 927580
3-amino-N-[4-(N-methylanilino)butyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119861966
N-[4-(N-methylanilino)butyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 60566180
2-methyl-N-[3-(N-methylanilino)propyl]prop-2-enamide
CID 154634175
4-(methylamino)-N-[3-(N-methylanilino)propyl]butanamide;dihydrochloride
CID 119831619
1-[4-(N-methylanilino)butyl]-2-(2-methylprop-2-enyl)guanidine
CID 111078637
N-[4-(N-methylanilino)butyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 60566059
N-[4-(N-methylanilino)butyl]-3-(3-methylphenyl)prop-2-enamide
CID 76868918
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
N-[3-(N-methylanilino)propyl]pentanamide
CID 78799629

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-(N-methylanilino)butyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dimethyl-N-[4-(N-methylanilino)butyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (CID 60566304) is 2,2-dimethyl-N-[4-(N-methylanilino)butyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-(N-methylanilino)butyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dimethyl-N-[4-(N-methylanilino)butyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is CC(C)=CC1C(C(=O)NCCCCN(C)c2ccccc2)C1(C)C.
What is the InChIKey of 2,2-dimethyl-N-[4-(N-methylanilino)butyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The InChIKey is ZCPAHDQDKSFPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O/c1-16(2)15-18-19(21(18,3)4)20(24)22-13-9-10-14-23(5)17-11-7-6-8-12-17/h6-8,11-12,15,18-19H,9-10,13-14H2,1-5H3,(H,22,24).
What are the key properties of 2,2-dimethyl-N-[4-(N-methylanilino)butyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
2,2-dimethyl-N-[4-(N-methylanilino)butyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide has a molecular weight of 328.50 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-(N-methylanilino)butyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 60566304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).