(E)-N-(diaminomethylidene)-3-[3-[4-[(dimethylamino)methyl]phenyl]phenyl]-2-methylprop-2-enamide

C20H24N4O — CID 146028195

IUPAC(E)-N-(diaminomethylidene)-3-[3-[4-[(dimethylamino)methyl]phenyl]phenyl]-2-methylprop-2-enamide
SMILESC/C(=C\c1cccc(-c2ccc(CN(C)C)cc2)c1)C(=O)N=C(N)N
InChIInChI=1S/C20H24N4O/c1-14(19(25)23-20(21)22)11-16-5-4-6-18(12-16)17-9-7-15(8-10-17)13-24(2)3/h4-12H,13H2,1-3H3,(H4,21,22,23,25)/b14-11+
InChIKeyFEPHEUWFFDDOOQ-SDNWHVSQSA-N
MW336.44 g/mol
LogP2.62
Rot. Bonds5

About (E)-N-(diaminomethylidene)-3-[3-[4-[(dimethylamino)methyl]phenyl]phenyl]-2-methylprop-2-enamide

(E)-N-(diaminomethylidene)-3-[3-[4-[(dimethylamino)methyl]phenyl]phenyl]-2-methylprop-2-enamide (PubChem CID 146028195) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is (E)-N-(diaminomethylidene)-3-[3-[4-[(dimethylamino)methyl]phenyl]phenyl]-2-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(diaminomethylidene)-3-[3-[4-[(dimethylamino)methyl]phenyl]phenyl]-2-methylprop-2-enamide
PubChem CID146028195
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name(E)-N-(diaminomethylidene)-3-[3-[4-[(dimethylamino)methyl]phenyl]phenyl]-2-methylprop-2-enamide
SMILESC/C(=C\c1cccc(-c2ccc(CN(C)C)cc2)c1)C(=O)N=C(N)N
InChIInChI=1S/C20H24N4O/c1-14(19(25)23-20(21)22)11-16-5-4-6-18(12-16)17-9-7-15(8-10-17)13-24(2)3/h4-12H,13H2,1-3H3,(H4,21,22,23,25)/b14-11+
InChIKeyFEPHEUWFFDDOOQ-SDNWHVSQSA-N
XLogP2.62
TPSA84.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-2-methyl-3-(3-phenylphenyl)prop-2-enamide
CID 127034031
2-methyl-3-(3-phenylphenyl)prop-2-enoic acid
CID 68509720
3-[2,4-bis(3-hydroxyphenyl)phenyl]-N-(diaminomethylidene)-2-methylprop-2-enamide
CID 76705078
1-[3-[4-[(dimethylamino)methyl]phenyl]phenyl]ethanamine
CID 82541578
3-[2,4-bis(4-hydroxyphenyl)phenyl]-N-(diaminomethylidene)-2-methylprop-2-enamide
CID 75628331
(E)-3-[2,5-bis(4-hydroxyphenyl)phenyl]-N-(diaminomethylidene)-2-methylprop-2-enamide
CID 51347701
3-[3-[4-[(dimethylamino)methyl]phenyl]phenyl]butanoic acid
CID 82543014
[4-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl acetate
CID 70808950
N-(diaminomethylidene)-3-[2-(3-hydroxyphenyl)-4-methylphenyl]-2-methylprop-2-enamide
CID 76705083
(E)-3-[2-(4-acetylphenyl)phenyl]-N-(diaminomethylidene)-2-methylprop-2-enamide
CID 51347696
methyl 3-[2-[(E)-3-(diaminomethylideneamino)-2-methyl-3-oxoprop-1-enyl]phenyl]benzoate
CID 58214874
N-(diaminomethylidene)-3-(3,5-difluoro-4-phenoxyphenyl)-2-methylprop-2-enamide
CID 146029241

Frequently Asked Questions

What is the IUPAC name of (E)-N-(diaminomethylidene)-3-[3-[4-[(dimethylamino)methyl]phenyl]phenyl]-2-methylprop-2-enamide?
The IUPAC name of (E)-N-(diaminomethylidene)-3-[3-[4-[(dimethylamino)methyl]phenyl]phenyl]-2-methylprop-2-enamide (CID 146028195) is (E)-N-(diaminomethylidene)-3-[3-[4-[(dimethylamino)methyl]phenyl]phenyl]-2-methylprop-2-enamide.
What is the SMILES notation for (E)-N-(diaminomethylidene)-3-[3-[4-[(dimethylamino)methyl]phenyl]phenyl]-2-methylprop-2-enamide?
The canonical SMILES for (E)-N-(diaminomethylidene)-3-[3-[4-[(dimethylamino)methyl]phenyl]phenyl]-2-methylprop-2-enamide is C/C(=C\c1cccc(-c2ccc(CN(C)C)cc2)c1)C(=O)N=C(N)N.
What is the InChIKey of (E)-N-(diaminomethylidene)-3-[3-[4-[(dimethylamino)methyl]phenyl]phenyl]-2-methylprop-2-enamide?
The InChIKey is FEPHEUWFFDDOOQ-SDNWHVSQSA-N. The full InChI is InChI=1S/C20H24N4O/c1-14(19(25)23-20(21)22)11-16-5-4-6-18(12-16)17-9-7-15(8-10-17)13-24(2)3/h4-12H,13H2,1-3H3,(H4,21,22,23,25)/b14-11+.
What are the key properties of (E)-N-(diaminomethylidene)-3-[3-[4-[(dimethylamino)methyl]phenyl]phenyl]-2-methylprop-2-enamide?
(E)-N-(diaminomethylidene)-3-[3-[4-[(dimethylamino)methyl]phenyl]phenyl]-2-methylprop-2-enamide has a molecular weight of 336.44 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(diaminomethylidene)-3-[3-[4-[(dimethylamino)methyl]phenyl]phenyl]-2-methylprop-2-enamide is sourced from PubChem (CID 146028195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).