3-[4-(dimethylamino)phenyl]-N,N-bis(2-hydroxyethyl)prop-2-enamide

C15H22N2O3 — CID 61234524

IUPAC3-[4-(dimethylamino)phenyl]-N,N-bis(2-hydroxyethyl)prop-2-enamide
SMILESCN(C)c1ccc(C=CC(=O)N(CCO)CCO)cc1
InChIInChI=1S/C15H22N2O3/c1-16(2)14-6-3-13(4-7-14)5-8-15(20)17(9-11-18)10-12-19/h3-8,18-19H,9-12H2,1-2H3
InChIKeyQWYXBUKRRWDVHW-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.58
Rot. Bonds7

About 3-[4-(dimethylamino)phenyl]-N,N-bis(2-hydroxyethyl)prop-2-enamide

3-[4-(dimethylamino)phenyl]-N,N-bis(2-hydroxyethyl)prop-2-enamide (PubChem CID 61234524) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-N,N-bis(2-hydroxyethyl)prop-2-enamide.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-N,N-bis(2-hydroxyethyl)prop-2-enamide
PubChem CID61234524
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-[4-(dimethylamino)phenyl]-N,N-bis(2-hydroxyethyl)prop-2-enamide
SMILESCN(C)c1ccc(C=CC(=O)N(CCO)CCO)cc1
InChIInChI=1S/C15H22N2O3/c1-16(2)14-6-3-13(4-7-14)5-8-15(20)17(9-11-18)10-12-19/h3-8,18-19H,9-12H2,1-2H3
InChIKeyQWYXBUKRRWDVHW-UHFFFAOYSA-N
XLogP0.58
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(4-bromophenyl)-N,N-bis(2-hydroxyethyl)prop-2-enamide
CID 61233441
3-(4-cyanophenyl)-N,N-bis(2-hydroxyethyl)prop-2-enamide
CID 61233426
(E)-3-[4-(dimethylamino)phenyl]-N-hydroxyprop-2-enamide
CID 11956153
N,N-bis(3-hydroxypropyl)-3-phenylprop-2-enamide
CID 176654258
3-(4-methoxyphenyl)-N,N-dipropylprop-2-enamide
CID 3500968
(E)-3-(3-aminophenyl)-N-(2-hydroxyethyl)-N-propylprop-2-enamide
CID 115343268
(E)-3-(4-bromophenyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)prop-2-enamide
CID 107483019
(E)-N-benzyl-N-[[4-(dimethylamino)phenyl]methyl]-3-(4-nitrophenyl)prop-2-enamide
CID 42706267
(E)-N-[(2R)-butan-2-yl]-3-[4-(dimethylamino)phenyl]prop-2-enamide
CID 39399219
4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
3-[4-(dimethylamino)phenyl]prop-2-en-1-ol
CID 53395716
3-[4-(dimethylamino)phenyl]-1-[4-(2-hydroxyethoxy)phenyl]prop-2-en-1-one
CID 54566704

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]-N,N-bis(2-hydroxyethyl)prop-2-enamide?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-N,N-bis(2-hydroxyethyl)prop-2-enamide (CID 61234524) is 3-[4-(dimethylamino)phenyl]-N,N-bis(2-hydroxyethyl)prop-2-enamide.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-N,N-bis(2-hydroxyethyl)prop-2-enamide?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-N,N-bis(2-hydroxyethyl)prop-2-enamide is CN(C)c1ccc(C=CC(=O)N(CCO)CCO)cc1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-N,N-bis(2-hydroxyethyl)prop-2-enamide?
The InChIKey is QWYXBUKRRWDVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-16(2)14-6-3-13(4-7-14)5-8-15(20)17(9-11-18)10-12-19/h3-8,18-19H,9-12H2,1-2H3.
What are the key properties of 3-[4-(dimethylamino)phenyl]-N,N-bis(2-hydroxyethyl)prop-2-enamide?
3-[4-(dimethylamino)phenyl]-N,N-bis(2-hydroxyethyl)prop-2-enamide has a molecular weight of 278.35 g/mol, XLogP of 0.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]-N,N-bis(2-hydroxyethyl)prop-2-enamide is sourced from PubChem (CID 61234524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).