N-[[4-(dimethylamino)phenyl]methyl]prop-2-enamide

C12H16N2O — CID 61251310

IUPACN-[[4-(dimethylamino)phenyl]methyl]prop-2-enamide
SMILESC=CC(=O)NCc1ccc(N(C)C)cc1
InChIInChI=1S/C12H16N2O/c1-4-12(15)13-9-10-5-7-11(8-6-10)14(2)3/h4-8H,1,9H2,2-3H3,(H,13,15)
InChIKeyXSKACEODHXBACR-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.55
Rot. Bonds4

About N-[[4-(dimethylamino)phenyl]methyl]prop-2-enamide

N-[[4-(dimethylamino)phenyl]methyl]prop-2-enamide (PubChem CID 61251310) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]prop-2-enamide
PubChem CID61251310
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]prop-2-enamide
SMILESC=CC(=O)NCc1ccc(N(C)C)cc1
InChIInChI=1S/C12H16N2O/c1-4-12(15)13-9-10-5-7-11(8-6-10)14(2)3/h4-8H,1,9H2,2-3H3,(H,13,15)
InChIKeyXSKACEODHXBACR-UHFFFAOYSA-N
XLogP1.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[[4-(dimethylamino)phenyl]methyl]-3-prop-2-enylurea
CID 38949005
2-chloro-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 9295463
N-[[4-(dimethylamino)phenyl]methyl]-2,2,2-trifluoroacetamide
CID 62489903
1-[(4-chlorophenyl)methyl]-3-[[4-(dimethylamino)phenyl]methyl]urea
CID 38949051
1,3-bis[[4-(dimethylamino)phenyl]methyl]-1-methylurea
CID 38949413
N-[[4-(methanesulfonamido)phenyl]methyl]prop-2-enamide
CID 57203958
methyl N-[4-[(prop-2-enoylamino)methyl]phenyl]carbamate
CID 115357516
N-[[4-(diethylsulfamoyl)phenyl]methyl]prop-2-enamide
CID 66675297
N-[(4-anilinophenyl)methyl]prop-2-enamide
CID 57298841
4-[[4-(dimethylamino)phenyl]methylamino]-4-oxobutanoic acid
CID 54867572
N-[[4-(dimethylamino)phenyl]methyl]-4-(methylamino)butanamide
CID 61248604
N-[[4-(dimethylamino)phenyl]methyl]octadecanamide
CID 154276818

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]prop-2-enamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]prop-2-enamide (CID 61251310) is N-[[4-(dimethylamino)phenyl]methyl]prop-2-enamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]prop-2-enamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]prop-2-enamide is C=CC(=O)NCc1ccc(N(C)C)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]prop-2-enamide?
The InChIKey is XSKACEODHXBACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-4-12(15)13-9-10-5-7-11(8-6-10)14(2)3/h4-8H,1,9H2,2-3H3,(H,13,15).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]prop-2-enamide?
N-[[4-(dimethylamino)phenyl]methyl]prop-2-enamide has a molecular weight of 204.27 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]prop-2-enamide is sourced from PubChem (CID 61251310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).