N-[3-(cyclohex-3-en-1-ylmethylamino)-4-methylphenyl]propanamide

C17H24N2O — CID 43677239

IUPACN-[3-(cyclohex-3-en-1-ylmethylamino)-4-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(NCC2CC=CCC2)c1
InChIInChI=1S/C17H24N2O/c1-3-17(20)19-15-10-9-13(2)16(11-15)18-12-14-7-5-4-6-8-14/h4-5,9-11,14,18H,3,6-8,12H2,1-2H3,(H,19,20)
InChIKeyBMPXCHVLNXCJQO-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.11
Rot. Bonds5

About N-[3-(cyclohex-3-en-1-ylmethylamino)-4-methylphenyl]propanamide

N-[3-(cyclohex-3-en-1-ylmethylamino)-4-methylphenyl]propanamide (PubChem CID 43677239) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[3-(cyclohex-3-en-1-ylmethylamino)-4-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[3-(cyclohex-3-en-1-ylmethylamino)-4-methylphenyl]propanamide
PubChem CID43677239
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-[3-(cyclohex-3-en-1-ylmethylamino)-4-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(NCC2CC=CCC2)c1
InChIInChI=1S/C17H24N2O/c1-3-17(20)19-15-10-9-13(2)16(11-15)18-12-14-7-5-4-6-8-14/h4-5,9-11,14,18H,3,6-8,12H2,1-2H3,(H,19,20)
InChIKeyBMPXCHVLNXCJQO-UHFFFAOYSA-N
XLogP4.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[(1R)-cyclohex-3-en-1-yl]methylamino]-4-methylbenzenesulfonamide
CID 129365495
N-[4-(cyclohex-3-en-1-ylmethylamino)phenyl]acetamide
CID 43200802
3-(cyclohex-3-en-1-ylmethylamino)-N,4-dimethylbenzenesulfonamide
CID 43752019
N-[4-methyl-3-(3-methylbutylamino)phenyl]propanamide
CID 43677281
4-tert-butyl-N-[2-methyl-5-(propanoylamino)phenyl]cyclohexane-1-carboxamide
CID 46467347
2-methyl-2-(methylamino)-N-[2-methyl-5-(propanoylamino)phenyl]propanamide
CID 62836559
N-[4-methyl-3-(piperidin-4-ylamino)phenyl]propanamide
CID 61016600
N-[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4-methylphenyl]propanamide
CID 64579578
N-[4-methyl-3-[(2-piperidin-4-ylacetyl)amino]phenyl]propanamide;hydrochloride
CID 119725801
N-[3-[(2-hydroxyphenyl)methylamino]-4-methylphenyl]propanamide
CID 43677282
N-[3-[(2-bromoacetyl)amino]-4-methylphenyl]propanamide
CID 63680059
N-(cyclohex-3-en-1-ylmethyl)-4-fluoro-3-methylaniline
CID 62810912

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohex-3-en-1-ylmethylamino)-4-methylphenyl]propanamide?
The IUPAC name of N-[3-(cyclohex-3-en-1-ylmethylamino)-4-methylphenyl]propanamide (CID 43677239) is N-[3-(cyclohex-3-en-1-ylmethylamino)-4-methylphenyl]propanamide.
What is the SMILES notation for N-[3-(cyclohex-3-en-1-ylmethylamino)-4-methylphenyl]propanamide?
The canonical SMILES for N-[3-(cyclohex-3-en-1-ylmethylamino)-4-methylphenyl]propanamide is CCC(=O)Nc1ccc(C)c(NCC2CC=CCC2)c1.
What is the InChIKey of N-[3-(cyclohex-3-en-1-ylmethylamino)-4-methylphenyl]propanamide?
The InChIKey is BMPXCHVLNXCJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-3-17(20)19-15-10-9-13(2)16(11-15)18-12-14-7-5-4-6-8-14/h4-5,9-11,14,18H,3,6-8,12H2,1-2H3,(H,19,20).
What are the key properties of N-[3-(cyclohex-3-en-1-ylmethylamino)-4-methylphenyl]propanamide?
N-[3-(cyclohex-3-en-1-ylmethylamino)-4-methylphenyl]propanamide has a molecular weight of 272.39 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohex-3-en-1-ylmethylamino)-4-methylphenyl]propanamide is sourced from PubChem (CID 43677239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).