N-cyclopropyl-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-phenylacetamide

C22H26N2O2 — CID 17498608

IUPACN-cyclopropyl-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-phenylacetamide
SMILESC=CCOc1ccc(CN(C)C(C(=O)NC2CC2)c2ccccc2)cc1
InChIInChI=1S/C22H26N2O2/c1-3-15-26-20-13-9-17(10-14-20)16-24(2)21(18-7-5-4-6-8-18)22(25)23-19-11-12-19/h3-10,13-14,19,21H,1,11-12,15-16H2,2H3,(H,23,25)
InChIKeyCHDLBBJXLNTHPO-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.70
Rot. Bonds9

About N-cyclopropyl-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-phenylacetamide

N-cyclopropyl-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-phenylacetamide (PubChem CID 17498608) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-cyclopropyl-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-phenylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-phenylacetamide
PubChem CID17498608
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-cyclopropyl-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-phenylacetamide
SMILESC=CCOc1ccc(CN(C)C(C(=O)NC2CC2)c2ccccc2)cc1
InChIInChI=1S/C22H26N2O2/c1-3-15-26-20-13-9-17(10-14-20)16-24(2)21(18-7-5-4-6-8-18)22(25)23-19-11-12-19/h3-10,13-14,19,21H,1,11-12,15-16H2,2H3,(H,23,25)
InChIKeyCHDLBBJXLNTHPO-UHFFFAOYSA-N
XLogP3.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2-[(4-ethoxyphenyl)methyl-methylamino]-2-phenylacetamide
CID 46823044
2-[benzyl(methyl)amino]-N-cyclopentyl-2-(4-methoxyphenyl)acetamide
CID 122174537
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-phenylacetamide
CID 40898420
N-cyclopropyl-2-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 24594082
(2S)-N-cyclopropyl-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-phenylacetamide
CID 8770772
2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-N-[(1R)-1-phenylethyl]acetamide
CID 9168111
(2R)-N-cyclopropyl-2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-2-phenylacetamide
CID 8916196
2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-prop-2-enoxyphenyl)acetamide
CID 133187295
2-hydroxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]benzamide
CID 31180128
(2S)-N-cyclohexyl-2-(dibenzylamino)-2-(4-methylphenyl)acetamide
CID 94233334
N-(ethylcarbamoyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide
CID 46614571
(2R)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-cyclopropyl-2-phenylacetamide
CID 8803422

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-phenylacetamide?
The IUPAC name of N-cyclopropyl-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-phenylacetamide (CID 17498608) is N-cyclopropyl-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-phenylacetamide.
What is the SMILES notation for N-cyclopropyl-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-phenylacetamide?
The canonical SMILES for N-cyclopropyl-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-phenylacetamide is C=CCOc1ccc(CN(C)C(C(=O)NC2CC2)c2ccccc2)cc1.
What is the InChIKey of N-cyclopropyl-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-phenylacetamide?
The InChIKey is CHDLBBJXLNTHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-3-15-26-20-13-9-17(10-14-20)16-24(2)21(18-7-5-4-6-8-18)22(25)23-19-11-12-19/h3-10,13-14,19,21H,1,11-12,15-16H2,2H3,(H,23,25).
What are the key properties of N-cyclopropyl-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-phenylacetamide?
N-cyclopropyl-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-phenylacetamide has a molecular weight of 350.46 g/mol, XLogP of 3.70, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-phenylacetamide is sourced from PubChem (CID 17498608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).