(E)-4-(dimethylamino)-N-(3-hydroxypropyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)but-2-enamide

C19H28N2O2 — CID 146098026

IUPAC(E)-4-(dimethylamino)-N-(3-hydroxypropyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)but-2-enamide
SMILESCN(C)C/C=C/C(=O)N(CCCO)C1CCCc2ccccc21
InChIInChI=1S/C19H28N2O2/c1-20(2)13-6-12-19(23)21(14-7-15-22)18-11-5-9-16-8-3-4-10-17(16)18/h3-4,6,8,10,12,18,22H,5,7,9,11,13-15H2,1-2H3/b12-6+
InChIKeyFXDXZWGHXKPBJQ-WUXMJOGZSA-N
MW316.45 g/mol
LogP2.39
Rot. Bonds7

About (E)-4-(dimethylamino)-N-(3-hydroxypropyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)but-2-enamide

(E)-4-(dimethylamino)-N-(3-hydroxypropyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)but-2-enamide (PubChem CID 146098026) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is (E)-4-(dimethylamino)-N-(3-hydroxypropyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)but-2-enamide.

Molecular Properties

Compound Name(E)-4-(dimethylamino)-N-(3-hydroxypropyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)but-2-enamide
PubChem CID146098026
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Name(E)-4-(dimethylamino)-N-(3-hydroxypropyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)but-2-enamide
SMILESCN(C)C/C=C/C(=O)N(CCCO)C1CCCc2ccccc21
InChIInChI=1S/C19H28N2O2/c1-20(2)13-6-12-19(23)21(14-7-15-22)18-11-5-9-16-8-3-4-10-17(16)18/h3-4,6,8,10,12,18,22H,5,7,9,11,13-15H2,1-2H3/b12-6+
InChIKeyFXDXZWGHXKPBJQ-WUXMJOGZSA-N
XLogP2.39
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-4-(dimethylamino)-N-(3-hydroxypropyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)but-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-methoxypropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 111799443
4-[[[3-hydroxypropyl(1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]amino]methyl]benzoic acid
CID 122020246
2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
CID 118026509
1-(2,3-dihydro-1H-inden-1-yl)-1-(3-hydroxypropyl)-3-phenylurea
CID 111347470
1-(3-hydroxypropyl)-3-[(1-methylimidazol-2-yl)methyl]-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 97075881
1-(3-hydroxypropyl)-3-(2-morpholin-4-ylethyl)-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 96536191
1-(3-hydroxypropyl)-3-(2-morpholin-4-ylethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 71857909
2-methyl-N-(3-phenylprop-2-enyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 5011136
1-(2,3-dihydro-1H-inden-1-yl)-1-(3-hydroxypropyl)-3-(4-methylphenyl)urea
CID 111347466
3-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]propan-1-ol
CID 111333724
3-[2,3-dihydro-1H-inden-1-yl(3-methoxypropyl)amino]propan-1-ol
CID 111333716
3,3-dimethyl-N-[(E)-3-phenylprop-2-enyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
CID 42696857

Frequently Asked Questions

What is the IUPAC name of (E)-4-(dimethylamino)-N-(3-hydroxypropyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)but-2-enamide?
The IUPAC name of (E)-4-(dimethylamino)-N-(3-hydroxypropyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)but-2-enamide (CID 146098026) is (E)-4-(dimethylamino)-N-(3-hydroxypropyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)but-2-enamide.
What is the SMILES notation for (E)-4-(dimethylamino)-N-(3-hydroxypropyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)but-2-enamide?
The canonical SMILES for (E)-4-(dimethylamino)-N-(3-hydroxypropyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)but-2-enamide is CN(C)C/C=C/C(=O)N(CCCO)C1CCCc2ccccc21.
What is the InChIKey of (E)-4-(dimethylamino)-N-(3-hydroxypropyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)but-2-enamide?
The InChIKey is FXDXZWGHXKPBJQ-WUXMJOGZSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-20(2)13-6-12-19(23)21(14-7-15-22)18-11-5-9-16-8-3-4-10-17(16)18/h3-4,6,8,10,12,18,22H,5,7,9,11,13-15H2,1-2H3/b12-6+.
What are the key properties of (E)-4-(dimethylamino)-N-(3-hydroxypropyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)but-2-enamide?
(E)-4-(dimethylamino)-N-(3-hydroxypropyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)but-2-enamide has a molecular weight of 316.45 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(dimethylamino)-N-(3-hydroxypropyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)but-2-enamide is sourced from PubChem (CID 146098026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).