N-[4-(dimethylamino)butyl]-3-(4-methoxyphenyl)-N-methylprop-2-enamide

C17H26N2O2 — CID 162878387

IUPACN-[4-(dimethylamino)butyl]-3-(4-methoxyphenyl)-N-methylprop-2-enamide
SMILESCOc1ccc(C=CC(=O)N(C)CCCCN(C)C)cc1
InChIInChI=1S/C17H26N2O2/c1-18(2)13-5-6-14-19(3)17(20)12-9-15-7-10-16(21-4)11-8-15/h7-12H,5-6,13-14H2,1-4H3
InChIKeyOVRMRXNPYHPEPY-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.51
Rot. Bonds8

About N-[4-(dimethylamino)butyl]-3-(4-methoxyphenyl)-N-methylprop-2-enamide

N-[4-(dimethylamino)butyl]-3-(4-methoxyphenyl)-N-methylprop-2-enamide (PubChem CID 162878387) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[4-(dimethylamino)butyl]-3-(4-methoxyphenyl)-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)butyl]-3-(4-methoxyphenyl)-N-methylprop-2-enamide
PubChem CID162878387
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[4-(dimethylamino)butyl]-3-(4-methoxyphenyl)-N-methylprop-2-enamide
SMILESCOc1ccc(C=CC(=O)N(C)CCCCN(C)C)cc1
InChIInChI=1S/C17H26N2O2/c1-18(2)13-5-6-14-19(3)17(20)12-9-15-7-10-16(21-4)11-8-15/h7-12H,5-6,13-14H2,1-4H3
InChIKeyOVRMRXNPYHPEPY-UHFFFAOYSA-N
XLogP2.51
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-(dimethylamino)butyl]-3-(4-methoxyphenyl)-N-methylprop-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

N-methoxy-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 54257265
3-(4-methoxyphenyl)-N,N-dipropylprop-2-enamide
CID 3500968
N-(2-hydroxy-3-methoxypropyl)-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 76911057
(E)-N-[(1-hydroxycyclopentyl)methyl]-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 115759757
(E)-N-hydroxy-N,3-bis(4-methoxyphenyl)prop-2-enamide
CID 66561051
2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-propan-2-ylamino]acetic acid
CID 60830331
(E)-3-(6-methoxynaphthalen-2-yl)-N,N-dimethylprop-2-enamide
CID 39001200
(E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide
CID 102270516
(E)-5-(dimethylamino)-4-[(dimethylamino)methyl]-1-(4-methoxyphenyl)-4-methylpent-1-en-3-one
CID 6250620
(E)-3-(4-chlorophenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 7936691
3-[ethyl-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoic acid
CID 61008451
(E)-3-(3-aminophenyl)-N-[3-(dimethylamino)propyl]-N-methylprop-2-enamide
CID 115344167

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)butyl]-3-(4-methoxyphenyl)-N-methylprop-2-enamide?
The IUPAC name of N-[4-(dimethylamino)butyl]-3-(4-methoxyphenyl)-N-methylprop-2-enamide (CID 162878387) is N-[4-(dimethylamino)butyl]-3-(4-methoxyphenyl)-N-methylprop-2-enamide.
What is the SMILES notation for N-[4-(dimethylamino)butyl]-3-(4-methoxyphenyl)-N-methylprop-2-enamide?
The canonical SMILES for N-[4-(dimethylamino)butyl]-3-(4-methoxyphenyl)-N-methylprop-2-enamide is COc1ccc(C=CC(=O)N(C)CCCCN(C)C)cc1.
What is the InChIKey of N-[4-(dimethylamino)butyl]-3-(4-methoxyphenyl)-N-methylprop-2-enamide?
The InChIKey is OVRMRXNPYHPEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-18(2)13-5-6-14-19(3)17(20)12-9-15-7-10-16(21-4)11-8-15/h7-12H,5-6,13-14H2,1-4H3.
What are the key properties of N-[4-(dimethylamino)butyl]-3-(4-methoxyphenyl)-N-methylprop-2-enamide?
N-[4-(dimethylamino)butyl]-3-(4-methoxyphenyl)-N-methylprop-2-enamide has a molecular weight of 290.41 g/mol, XLogP of 2.51, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)butyl]-3-(4-methoxyphenyl)-N-methylprop-2-enamide is sourced from PubChem (CID 162878387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).