N-benzyl-N-(cyclopropylmethyl)-3-(4-methoxyphenyl)prop-2-enamide

C21H23NO2 — CID 3346658

IUPACN-benzyl-N-(cyclopropylmethyl)-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(C=CC(=O)N(Cc2ccccc2)CC2CC2)cc1
InChIInChI=1S/C21H23NO2/c1-24-20-12-9-17(10-13-20)11-14-21(23)22(16-19-7-8-19)15-18-5-3-2-4-6-18/h2-6,9-14,19H,7-8,15-16H2,1H3
InChIKeyKLGWCVJONYIJJN-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.15
Rot. Bonds7

About N-benzyl-N-(cyclopropylmethyl)-3-(4-methoxyphenyl)prop-2-enamide

N-benzyl-N-(cyclopropylmethyl)-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 3346658) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-benzyl-N-(cyclopropylmethyl)-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-benzyl-N-(cyclopropylmethyl)-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID3346658
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC NameN-benzyl-N-(cyclopropylmethyl)-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(C=CC(=O)N(Cc2ccccc2)CC2CC2)cc1
InChIInChI=1S/C21H23NO2/c1-24-20-12-9-17(10-13-20)11-14-21(23)22(16-19-7-8-19)15-18-5-3-2-4-6-18/h2-6,9-14,19H,7-8,15-16H2,1H3
InChIKeyKLGWCVJONYIJJN-UHFFFAOYSA-N
XLogP4.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.15
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-N-(cyclobutylmethyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 76870370
(E)-N-benzyl-N-cyclohex-2-en-1-yl-3-(4-methoxyphenyl)prop-2-enamide
CID 101484905
(Z)-N,N-dibenzyl-3-phenylprop-2-enamide
CID 11163228
benzyl(cyclopropylmethyl)carbamic acid
CID 68617171
N-benzyl-3-(2-chlorophenyl)-N-(cyclobutylmethyl)prop-2-enamide
CID 3348745
N,N-dibenzyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 76857554
3-(4-methoxyphenyl)-N,N-dipropylprop-2-enamide
CID 3500968
1-(4-benzylpiperidin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 887161
N-(1,1-dioxothiolan-3-yl)-N-[(4-methoxyphenyl)methyl]-3-phenylprop-2-enamide
CID 3326822
benzyl (2S)-2-[3-(4-methoxyphenyl)prop-2-enoyl-methylamino]propanoate
CID 54166245
(E)-N-benzyl-3-(3,4-dimethoxyphenyl)-N-ethylprop-2-enamide
CID 6057475

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(cyclopropylmethyl)-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of N-benzyl-N-(cyclopropylmethyl)-3-(4-methoxyphenyl)prop-2-enamide (CID 3346658) is N-benzyl-N-(cyclopropylmethyl)-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-benzyl-N-(cyclopropylmethyl)-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for N-benzyl-N-(cyclopropylmethyl)-3-(4-methoxyphenyl)prop-2-enamide is COc1ccc(C=CC(=O)N(Cc2ccccc2)CC2CC2)cc1.
What is the InChIKey of N-benzyl-N-(cyclopropylmethyl)-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is KLGWCVJONYIJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2/c1-24-20-12-9-17(10-13-20)11-14-21(23)22(16-19-7-8-19)15-18-5-3-2-4-6-18/h2-6,9-14,19H,7-8,15-16H2,1H3.
What are the key properties of N-benzyl-N-(cyclopropylmethyl)-3-(4-methoxyphenyl)prop-2-enamide?
N-benzyl-N-(cyclopropylmethyl)-3-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 321.42 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(cyclopropylmethyl)-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 3346658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).