2-[(4-methoxyphenyl)methyl-prop-2-enylamino]-N-methyl-N-propan-2-ylacetamide

C17H26N2O2 — CID 87033932

IUPAC2-[(4-methoxyphenyl)methyl-prop-2-enylamino]-N-methyl-N-propan-2-ylacetamide
SMILESC=CCN(CC(=O)N(C)C(C)C)Cc1ccc(OC)cc1
InChIInChI=1S/C17H26N2O2/c1-6-11-19(13-17(20)18(4)14(2)3)12-15-7-9-16(21-5)10-8-15/h6-10,14H,1,11-13H2,2-5H3
InChIKeyJBXAQTXBPBCMIB-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.55
Rot. Bonds8

About 2-[(4-methoxyphenyl)methyl-prop-2-enylamino]-N-methyl-N-propan-2-ylacetamide

2-[(4-methoxyphenyl)methyl-prop-2-enylamino]-N-methyl-N-propan-2-ylacetamide (PubChem CID 87033932) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl-prop-2-enylamino]-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl-prop-2-enylamino]-N-methyl-N-propan-2-ylacetamide
PubChem CID87033932
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[(4-methoxyphenyl)methyl-prop-2-enylamino]-N-methyl-N-propan-2-ylacetamide
SMILESC=CCN(CC(=O)N(C)C(C)C)Cc1ccc(OC)cc1
InChIInChI=1S/C17H26N2O2/c1-6-11-19(13-17(20)18(4)14(2)3)12-15-7-9-16(21-5)10-8-15/h6-10,14H,1,11-13H2,2-5H3
InChIKeyJBXAQTXBPBCMIB-UHFFFAOYSA-N
XLogP2.55
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(NE)-N-[1-[(4-methoxyphenyl)methyl-prop-2-enylamino]propan-2-ylidene]hydroxylamine
CID 155315601
2-[benzyl(prop-2-enyl)amino]-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide
CID 24938979
3-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbutanamide;hydrochloride
CID 119741696
ethyl 2-[2-(4-methoxyphenyl)ethyl-prop-2-enylamino]acetate
CID 78977811
methyl (2S)-2-amino-5-[(4-methoxyphenyl)methyl-prop-2-enylamino]-5-oxopentanoate
CID 69494857
2-[benzyl(ethyl)amino]-N-methyl-N-propan-2-ylacetamide
CID 86908379
2,2,2-tribromo-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylacetamide
CID 10527770
2-[benzyl(propyl)amino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 78823618
methyl 2-[benzyl(prop-2-enyl)amino]acetate
CID 10798914
3-amino-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide
CID 54868521
N-benzyl-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-methylacetamide
CID 55327246
4-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbutanamide
CID 119299364

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl-prop-2-enylamino]-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[(4-methoxyphenyl)methyl-prop-2-enylamino]-N-methyl-N-propan-2-ylacetamide (CID 87033932) is 2-[(4-methoxyphenyl)methyl-prop-2-enylamino]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl-prop-2-enylamino]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl-prop-2-enylamino]-N-methyl-N-propan-2-ylacetamide is C=CCN(CC(=O)N(C)C(C)C)Cc1ccc(OC)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl-prop-2-enylamino]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is JBXAQTXBPBCMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-6-11-19(13-17(20)18(4)14(2)3)12-15-7-9-16(21-5)10-8-15/h6-10,14H,1,11-13H2,2-5H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl-prop-2-enylamino]-N-methyl-N-propan-2-ylacetamide?
2-[(4-methoxyphenyl)methyl-prop-2-enylamino]-N-methyl-N-propan-2-ylacetamide has a molecular weight of 290.41 g/mol, XLogP of 2.55, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl-prop-2-enylamino]-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 87033932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).