5-amino-2-methyl-N-[(3E,5Z)-5-methyl-3-phosphanylhepta-1,3,5-trien-2-yl]benzamide

C16H21N2OP — CID 177145288

IUPAC5-amino-2-methyl-N-[(3E,5Z)-5-methyl-3-phosphanylhepta-1,3,5-trien-2-yl]benzamide
SMILESC=C(NC(=O)c1cc(N)ccc1C)/C(P)=C\C(C)=C/C
InChIInChI=1S/C16H21N2OP/c1-5-10(2)8-15(20)12(4)18-16(19)14-9-13(17)7-6-11(14)3/h5-9H,4,17,20H2,1-3H3,(H,18,19)/b10-5-,15-8+
InChIKeyMZPWRCJNVVJLLL-XKEXRUKZSA-N
MW288.33 g/mol
LogP3.55
Rot. Bonds4

About 5-amino-2-methyl-N-[(3E,5Z)-5-methyl-3-phosphanylhepta-1,3,5-trien-2-yl]benzamide

5-amino-2-methyl-N-[(3E,5Z)-5-methyl-3-phosphanylhepta-1,3,5-trien-2-yl]benzamide (PubChem CID 177145288) has the molecular formula C16H21N2OP and a molecular weight of 288.33 g/mol. Its IUPAC name is 5-amino-2-methyl-N-[(3E,5Z)-5-methyl-3-phosphanylhepta-1,3,5-trien-2-yl]benzamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-[(3E,5Z)-5-methyl-3-phosphanylhepta-1,3,5-trien-2-yl]benzamide
PubChem CID177145288
Molecular FormulaC16H21N2OP
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name5-amino-2-methyl-N-[(3E,5Z)-5-methyl-3-phosphanylhepta-1,3,5-trien-2-yl]benzamide
SMILESC=C(NC(=O)c1cc(N)ccc1C)/C(P)=C\C(C)=C/C
InChIInChI=1S/C16H21N2OP/c1-5-10(2)8-15(20)12(4)18-16(19)14-9-13(17)7-6-11(14)3/h5-9H,4,17,20H2,1-3H3,(H,18,19)/b10-5-,15-8+
InChIKeyMZPWRCJNVVJLLL-XKEXRUKZSA-N
XLogP3.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-[(3E,5Z)-5-methyl-3-phosphanylhepta-1,3,5-trien-2-yl]benzamide?
The IUPAC name of 5-amino-2-methyl-N-[(3E,5Z)-5-methyl-3-phosphanylhepta-1,3,5-trien-2-yl]benzamide (CID 177145288) is 5-amino-2-methyl-N-[(3E,5Z)-5-methyl-3-phosphanylhepta-1,3,5-trien-2-yl]benzamide.
What is the SMILES notation for 5-amino-2-methyl-N-[(3E,5Z)-5-methyl-3-phosphanylhepta-1,3,5-trien-2-yl]benzamide?
The canonical SMILES for 5-amino-2-methyl-N-[(3E,5Z)-5-methyl-3-phosphanylhepta-1,3,5-trien-2-yl]benzamide is C=C(NC(=O)c1cc(N)ccc1C)/C(P)=C\C(C)=C/C.
What is the InChIKey of 5-amino-2-methyl-N-[(3E,5Z)-5-methyl-3-phosphanylhepta-1,3,5-trien-2-yl]benzamide?
The InChIKey is MZPWRCJNVVJLLL-XKEXRUKZSA-N. The full InChI is InChI=1S/C16H21N2OP/c1-5-10(2)8-15(20)12(4)18-16(19)14-9-13(17)7-6-11(14)3/h5-9H,4,17,20H2,1-3H3,(H,18,19)/b10-5-,15-8+.
What are the key properties of 5-amino-2-methyl-N-[(3E,5Z)-5-methyl-3-phosphanylhepta-1,3,5-trien-2-yl]benzamide?
5-amino-2-methyl-N-[(3E,5Z)-5-methyl-3-phosphanylhepta-1,3,5-trien-2-yl]benzamide has a molecular weight of 288.33 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-[(3E,5Z)-5-methyl-3-phosphanylhepta-1,3,5-trien-2-yl]benzamide is sourced from PubChem (CID 177145288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).