(NE)-N-[1-[(4-methoxyphenyl)methyl-prop-2-enylamino]propan-2-ylidene]hydroxylamine

C14H20N2O2 — CID 155315601

IUPAC(NE)-N-[1-[(4-methoxyphenyl)methyl-prop-2-enylamino]propan-2-ylidene]hydroxylamine
SMILESC=CCN(C/C(C)=N/O)Cc1ccc(OC)cc1
InChIInChI=1S/C14H20N2O2/c1-4-9-16(10-12(2)15-17)11-13-5-7-14(18-3)8-6-13/h4-8,17H,1,9-11H2,2-3H3/b15-12+
InChIKeyMQWFHYFBHQMMJJ-NTCAYCPXSA-N
MW248.33 g/mol
LogP2.53
Rot. Bonds7

About (NE)-N-[1-[(4-methoxyphenyl)methyl-prop-2-enylamino]propan-2-ylidene]hydroxylamine

(NE)-N-[1-[(4-methoxyphenyl)methyl-prop-2-enylamino]propan-2-ylidene]hydroxylamine (PubChem CID 155315601) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (NE)-N-[1-[(4-methoxyphenyl)methyl-prop-2-enylamino]propan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[(4-methoxyphenyl)methyl-prop-2-enylamino]propan-2-ylidene]hydroxylamine
PubChem CID155315601
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(NE)-N-[1-[(4-methoxyphenyl)methyl-prop-2-enylamino]propan-2-ylidene]hydroxylamine
SMILESC=CCN(C/C(C)=N/O)Cc1ccc(OC)cc1
InChIInChI=1S/C14H20N2O2/c1-4-9-16(10-12(2)15-17)11-13-5-7-14(18-3)8-6-13/h4-8,17H,1,9-11H2,2-3H3/b15-12+
InChIKeyMQWFHYFBHQMMJJ-NTCAYCPXSA-N
XLogP2.53
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-methoxyphenyl)methyl-prop-2-enylamino]-N-methyl-N-propan-2-ylacetamide
CID 87033932
2-[2-(4-methoxyphenyl)ethyl-prop-2-enylamino]ethanol
CID 115631911
2,2,2-tribromo-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylacetamide
CID 10527770
methyl 2-[benzyl(prop-2-enyl)amino]acetate
CID 10798914
ethyl 2-[2-(4-methoxyphenyl)ethyl-prop-2-enylamino]acetate
CID 78977811
3-[2-(4-methoxyphenyl)ethyl-prop-2-enylamino]propanoic acid
CID 82327972
2-[(2,5-dimethoxyphenyl)methyl-prop-2-enylamino]acetic acid
CID 39364528
methyl 4-[[bis(prop-2-enyl)amino]methyl]benzoate
CID 10263907
N-[(4-methoxyphenyl)methyl]-N-prop-2-enylpentan-2-amine
CID 138519029
3-[(4-methoxyphenyl)methyl]-1,1-bis(prop-2-enyl)urea
CID 108868165
[4-[[bis(prop-2-enyl)amino]methyl]phenyl]methanol
CID 83794067
1-(1-deuterioprop-2-enyl)-4-methoxybenzene
CID 131851779

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[(4-methoxyphenyl)methyl-prop-2-enylamino]propan-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[(4-methoxyphenyl)methyl-prop-2-enylamino]propan-2-ylidene]hydroxylamine (CID 155315601) is (NE)-N-[1-[(4-methoxyphenyl)methyl-prop-2-enylamino]propan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[(4-methoxyphenyl)methyl-prop-2-enylamino]propan-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[(4-methoxyphenyl)methyl-prop-2-enylamino]propan-2-ylidene]hydroxylamine is C=CCN(C/C(C)=N/O)Cc1ccc(OC)cc1.
What is the InChIKey of (NE)-N-[1-[(4-methoxyphenyl)methyl-prop-2-enylamino]propan-2-ylidene]hydroxylamine?
The InChIKey is MQWFHYFBHQMMJJ-NTCAYCPXSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-4-9-16(10-12(2)15-17)11-13-5-7-14(18-3)8-6-13/h4-8,17H,1,9-11H2,2-3H3/b15-12+.
What are the key properties of (NE)-N-[1-[(4-methoxyphenyl)methyl-prop-2-enylamino]propan-2-ylidene]hydroxylamine?
(NE)-N-[1-[(4-methoxyphenyl)methyl-prop-2-enylamino]propan-2-ylidene]hydroxylamine has a molecular weight of 248.33 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[(4-methoxyphenyl)methyl-prop-2-enylamino]propan-2-ylidene]hydroxylamine is sourced from PubChem (CID 155315601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).