[4-[(ethenylamino)-prop-2-enylamino]phenyl]-[4-[ethyl(prop-2-enyl)amino]phenyl]methanone

C23H27N3O — CID 135188887

IUPAC[4-[(ethenylamino)-prop-2-enylamino]phenyl]-[4-[ethyl(prop-2-enyl)amino]phenyl]methanone
SMILESC=CCN(CC)c1ccc(C(=O)c2ccc(N(CC=C)NC=C)cc2)cc1
InChIInChI=1S/C23H27N3O/c1-5-17-25(8-4)21-13-9-19(10-14-21)23(27)20-11-15-22(16-12-20)26(18-6-2)24-7-3/h5-7,9-16,24H,1-3,8,17-18H2,4H3
InChIKeyBCDWWRPGORCXLJ-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.57
Rot. Bonds11

About [4-[(ethenylamino)-prop-2-enylamino]phenyl]-[4-[ethyl(prop-2-enyl)amino]phenyl]methanone

[4-[(ethenylamino)-prop-2-enylamino]phenyl]-[4-[ethyl(prop-2-enyl)amino]phenyl]methanone (PubChem CID 135188887) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is [4-[(ethenylamino)-prop-2-enylamino]phenyl]-[4-[ethyl(prop-2-enyl)amino]phenyl]methanone.

Molecular Properties

Compound Name[4-[(ethenylamino)-prop-2-enylamino]phenyl]-[4-[ethyl(prop-2-enyl)amino]phenyl]methanone
PubChem CID135188887
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name[4-[(ethenylamino)-prop-2-enylamino]phenyl]-[4-[ethyl(prop-2-enyl)amino]phenyl]methanone
SMILESC=CCN(CC)c1ccc(C(=O)c2ccc(N(CC=C)NC=C)cc2)cc1
InChIInChI=1S/C23H27N3O/c1-5-17-25(8-4)21-13-9-19(10-14-21)23(27)20-11-15-22(16-12-20)26(18-6-2)24-7-3/h5-7,9-16,24H,1-3,8,17-18H2,4H3
InChIKeyBCDWWRPGORCXLJ-UHFFFAOYSA-N
XLogP4.57
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(diethylamino)-N-prop-2-enylanilino]propanoic acid
CID 82317527
methyl 4-[bis(prop-2-enyl)amino]benzoate
CID 11806509
[4-(diethylamino)phenyl]-phenylmethanone;phenyl-(4-phenylphenyl)methanone
CID 175454528
4-(diethylamino)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 115924108
4-[ethyl(prop-2-enyl)amino]benzonitrile
CID 78958833
3-(4-acetyl-N-prop-2-enylanilino)propanoic acid
CID 82317530
[4-[2-[4-(diethylamino)phenyl]ethenyl]phenyl]-phenylmethanone
CID 141211346
bis[4-[decyl(ethyl)amino]phenyl]methanone
CID 150764383
bis[4-(diethylamino)phenyl]methanone;bis[4-(dimethylamino)phenyl]methanone;diphenylmethanone
CID 161451495
3-[4-(dimethylamino)-N-prop-2-enylanilino]propanoic acid
CID 82317597
4-[[4-[bis(prop-2-enyl)amino]phenyl]diazenyl]benzoic acid
CID 87986798
benzaldehyde;bis[4-[bis(prop-2-enyl)amino]phenyl]methanone;1,3-bis(prop-2-enyl)imidazolidin-2-one;N-prop-2-enylprop-2-en-1-amine
CID 173312425

Frequently Asked Questions

What is the IUPAC name of [4-[(ethenylamino)-prop-2-enylamino]phenyl]-[4-[ethyl(prop-2-enyl)amino]phenyl]methanone?
The IUPAC name of [4-[(ethenylamino)-prop-2-enylamino]phenyl]-[4-[ethyl(prop-2-enyl)amino]phenyl]methanone (CID 135188887) is [4-[(ethenylamino)-prop-2-enylamino]phenyl]-[4-[ethyl(prop-2-enyl)amino]phenyl]methanone.
What is the SMILES notation for [4-[(ethenylamino)-prop-2-enylamino]phenyl]-[4-[ethyl(prop-2-enyl)amino]phenyl]methanone?
The canonical SMILES for [4-[(ethenylamino)-prop-2-enylamino]phenyl]-[4-[ethyl(prop-2-enyl)amino]phenyl]methanone is C=CCN(CC)c1ccc(C(=O)c2ccc(N(CC=C)NC=C)cc2)cc1.
What is the InChIKey of [4-[(ethenylamino)-prop-2-enylamino]phenyl]-[4-[ethyl(prop-2-enyl)amino]phenyl]methanone?
The InChIKey is BCDWWRPGORCXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-5-17-25(8-4)21-13-9-19(10-14-21)23(27)20-11-15-22(16-12-20)26(18-6-2)24-7-3/h5-7,9-16,24H,1-3,8,17-18H2,4H3.
What are the key properties of [4-[(ethenylamino)-prop-2-enylamino]phenyl]-[4-[ethyl(prop-2-enyl)amino]phenyl]methanone?
[4-[(ethenylamino)-prop-2-enylamino]phenyl]-[4-[ethyl(prop-2-enyl)amino]phenyl]methanone has a molecular weight of 361.49 g/mol, XLogP of 4.57, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(ethenylamino)-prop-2-enylamino]phenyl]-[4-[ethyl(prop-2-enyl)amino]phenyl]methanone is sourced from PubChem (CID 135188887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).