4-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbutanamide

C15H22N2O2 — CID 119299364

IUPAC4-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbutanamide
SMILESC=CCN(Cc1ccc(OC)cc1)C(=O)CCCN
InChIInChI=1S/C15H22N2O2/c1-3-11-17(15(18)5-4-10-16)12-13-6-8-14(19-2)9-7-13/h3,6-9H,1,4-5,10-12,16H2,2H3
InChIKeyRWIZSIFACGWNSP-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.95
Rot. Bonds8

About 4-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbutanamide

4-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbutanamide (PubChem CID 119299364) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbutanamide.

Molecular Properties

Compound Name4-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbutanamide
PubChem CID119299364
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbutanamide
SMILESC=CCN(Cc1ccc(OC)cc1)C(=O)CCCN
InChIInChI=1S/C15H22N2O2/c1-3-11-17(15(18)5-4-10-16)12-13-6-8-14(19-2)9-7-13/h3,6-9H,1,4-5,10-12,16H2,2H3
InChIKeyRWIZSIFACGWNSP-UHFFFAOYSA-N
XLogP1.95
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.95
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

methyl (2S)-2-amino-5-[(4-methoxyphenyl)methyl-prop-2-enylamino]-5-oxopentanoate
CID 69494857
3-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbutanamide;hydrochloride
CID 119741696
2,2,2-tribromo-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylacetamide
CID 10527770
7-amino-N-[(4-methoxyphenyl)methyl]-N-methylheptanamide
CID 60937309
4-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]butanamide
CID 54869898
methyl (2S)-5-[(4-methoxyphenyl)methyl-prop-2-enylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
CID 69494840
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylacetamide
CID 55918586
4-chloro-N-ethyl-N-[(4-methoxyphenyl)methyl]butanamide
CID 63307538
3-amino-N-[(4-methoxyphenyl)methyl]-2-methyl-3-phenyl-N-prop-2-enylpropanamide;hydrochloride
CID 119741680
3-(2,5-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylprop-2-enamide
CID 55918463
N-ethyl-N-[(4-methoxyphenyl)methyl]-4-(methylamino)butanamide
CID 54872486
2-chloro-N-[(4-ethoxyphenyl)methyl]-N-prop-2-enylacetamide
CID 39366818

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbutanamide?
The IUPAC name of 4-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbutanamide (CID 119299364) is 4-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbutanamide.
What is the SMILES notation for 4-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbutanamide?
The canonical SMILES for 4-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbutanamide is C=CCN(Cc1ccc(OC)cc1)C(=O)CCCN.
What is the InChIKey of 4-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbutanamide?
The InChIKey is RWIZSIFACGWNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-11-17(15(18)5-4-10-16)12-13-6-8-14(19-2)9-7-13/h3,6-9H,1,4-5,10-12,16H2,2H3.
What are the key properties of 4-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbutanamide?
4-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbutanamide has a molecular weight of 262.35 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbutanamide is sourced from PubChem (CID 119299364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).