N-benzyl-N-(cyclobutylmethyl)-3-(2-methoxyphenyl)prop-2-enamide

C22H25NO2 — CID 76870370

IUPACN-benzyl-N-(cyclobutylmethyl)-3-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1C=CC(=O)N(Cc1ccccc1)CC1CCC1
InChIInChI=1S/C22H25NO2/c1-25-21-13-6-5-12-20(21)14-15-22(24)23(17-19-10-7-11-19)16-18-8-3-2-4-9-18/h2-6,8-9,12-15,19H,7,10-11,16-17H2,1H3
InChIKeyHRWVFTCJCZIUQI-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.54
Rot. Bonds7

About N-benzyl-N-(cyclobutylmethyl)-3-(2-methoxyphenyl)prop-2-enamide

N-benzyl-N-(cyclobutylmethyl)-3-(2-methoxyphenyl)prop-2-enamide (PubChem CID 76870370) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-benzyl-N-(cyclobutylmethyl)-3-(2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-benzyl-N-(cyclobutylmethyl)-3-(2-methoxyphenyl)prop-2-enamide
PubChem CID76870370
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC NameN-benzyl-N-(cyclobutylmethyl)-3-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1C=CC(=O)N(Cc1ccccc1)CC1CCC1
InChIInChI=1S/C22H25NO2/c1-25-21-13-6-5-12-20(21)14-15-22(24)23(17-19-10-7-11-19)16-18-8-3-2-4-9-18/h2-6,8-9,12-15,19H,7,10-11,16-17H2,1H3
InChIKeyHRWVFTCJCZIUQI-UHFFFAOYSA-N
XLogP4.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-benzyl-N-(cyclobutylmethyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 60584326
N-benzyl-3-(2-chlorophenyl)-N-(cyclobutylmethyl)prop-2-enamide
CID 3348745
(E)-N-benzyl-N-(2-hydroxyethyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 78854558
N-benzyl-N-(cyclopropylmethyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 3346658
(E)-N-cyclopropyl-3-(2-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CID 46588602
benzyl(cyclohexylmethyl)carbamic acid
CID 57063774
N,N-dibenzyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 76857554
N-benzyl-2-chloro-N-(cyclobutylmethyl)acetamide
CID 166403801
benzyl(cyclopropylmethyl)carbamic acid
CID 68617171
2-[ethyl-[3-(2-methoxyphenyl)prop-2-enoyl]amino]-2-methylpropanoic acid
CID 76949869
3-(5-chloro-2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 103598167
(E)-N-cyclopropyl-3-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 134004442

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(cyclobutylmethyl)-3-(2-methoxyphenyl)prop-2-enamide?
The IUPAC name of N-benzyl-N-(cyclobutylmethyl)-3-(2-methoxyphenyl)prop-2-enamide (CID 76870370) is N-benzyl-N-(cyclobutylmethyl)-3-(2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-benzyl-N-(cyclobutylmethyl)-3-(2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for N-benzyl-N-(cyclobutylmethyl)-3-(2-methoxyphenyl)prop-2-enamide is COc1ccccc1C=CC(=O)N(Cc1ccccc1)CC1CCC1.
What is the InChIKey of N-benzyl-N-(cyclobutylmethyl)-3-(2-methoxyphenyl)prop-2-enamide?
The InChIKey is HRWVFTCJCZIUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2/c1-25-21-13-6-5-12-20(21)14-15-22(24)23(17-19-10-7-11-19)16-18-8-3-2-4-9-18/h2-6,8-9,12-15,19H,7,10-11,16-17H2,1H3.
What are the key properties of N-benzyl-N-(cyclobutylmethyl)-3-(2-methoxyphenyl)prop-2-enamide?
N-benzyl-N-(cyclobutylmethyl)-3-(2-methoxyphenyl)prop-2-enamide has a molecular weight of 335.45 g/mol, XLogP of 4.54, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(cyclobutylmethyl)-3-(2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 76870370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).