N-[3-[3-(dipropylamino)propoxy]-4-methoxyphenyl]-3-(4-propylphenyl)prop-2-enamide

C28H40N2O3 — CID 70145513

IUPACN-[3-[3-(dipropylamino)propoxy]-4-methoxyphenyl]-3-(4-propylphenyl)prop-2-enamide
SMILESCCCc1ccc(C=CC(=O)Nc2ccc(OC)c(OCCCN(CCC)CCC)c2)cc1
InChIInChI=1S/C28H40N2O3/c1-5-9-23-10-12-24(13-11-23)14-17-28(31)29-25-15-16-26(32-4)27(22-25)33-21-8-20-30(18-6-2)19-7-3/h10-17,22H,5-9,18-21H2,1-4H3,(H,29,31)
InChIKeyAMWFZGGRPLJISX-UHFFFAOYSA-N
MW452.64 g/mol
LogP6.19
Rot. Bonds15

About N-[3-[3-(dipropylamino)propoxy]-4-methoxyphenyl]-3-(4-propylphenyl)prop-2-enamide

N-[3-[3-(dipropylamino)propoxy]-4-methoxyphenyl]-3-(4-propylphenyl)prop-2-enamide (PubChem CID 70145513) has the molecular formula C28H40N2O3 and a molecular weight of 452.64 g/mol. Its IUPAC name is N-[3-[3-(dipropylamino)propoxy]-4-methoxyphenyl]-3-(4-propylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-[3-[3-(dipropylamino)propoxy]-4-methoxyphenyl]-3-(4-propylphenyl)prop-2-enamide
PubChem CID70145513
Molecular FormulaC28H40N2O3
Molecular Weight452.64 g/mol
Exact Mass452.30
IUPAC NameN-[3-[3-(dipropylamino)propoxy]-4-methoxyphenyl]-3-(4-propylphenyl)prop-2-enamide
SMILESCCCc1ccc(C=CC(=O)Nc2ccc(OC)c(OCCCN(CCC)CCC)c2)cc1
InChIInChI=1S/C28H40N2O3/c1-5-9-23-10-12-24(13-11-23)14-17-28(31)29-25-15-16-26(32-4)27(22-25)33-21-8-20-30(18-6-2)19-7-3/h10-17,22H,5-9,18-21H2,1-4H3,(H,29,31)
InChIKeyAMWFZGGRPLJISX-UHFFFAOYSA-N
XLogP6.19
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.64
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-[3-(dipropylamino)propoxy]-4-methoxyphenyl]-3-(4-propylphenyl)prop-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-[3-[2-(dipropylamino)ethoxy]-4-methoxyphenyl]-3-pyridin-3-ylprop-2-enamide
CID 70147305
N-[3-[3-(dipropylamino)propyl]-4-methoxyphenyl]-3-pyridin-4-ylprop-2-enamide
CID 70147774
N-[3-[2-(dipropylamino)ethoxy]-4-methoxyphenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 70145793
3-(2-chlorophenyl)-N-[3-[2-(dipropylamino)ethoxy]-4-methoxyphenyl]prop-2-enamide
CID 70144077
(E)-3-(4-ethoxyphenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]prop-2-enamide
CID 32519046
3-(2,4-dichlorophenyl)-N-[3-[2-(dipropylamino)ethoxy]-4-methoxyphenyl]prop-2-enamide
CID 70143968
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-3-(4-butoxy-3-methoxyphenyl)prop-2-enamide
CID 55744196
N-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 5102222
3-(3,4-dichlorophenyl)-N-[3-[3-[di(propan-2-yl)amino]propoxy]-4-methoxyphenyl]prop-2-enamide
CID 139919476
3-(1-benzothiophen-2-yl)-N-[3-[2-(dipropylamino)ethoxy]-4-methoxyphenyl]prop-2-enamide
CID 70143434
N-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 2788614
(E)-3-(3,4-dimethylphenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]prop-2-enamide
CID 70143460

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(dipropylamino)propoxy]-4-methoxyphenyl]-3-(4-propylphenyl)prop-2-enamide?
The IUPAC name of N-[3-[3-(dipropylamino)propoxy]-4-methoxyphenyl]-3-(4-propylphenyl)prop-2-enamide (CID 70145513) is N-[3-[3-(dipropylamino)propoxy]-4-methoxyphenyl]-3-(4-propylphenyl)prop-2-enamide.
What is the SMILES notation for N-[3-[3-(dipropylamino)propoxy]-4-methoxyphenyl]-3-(4-propylphenyl)prop-2-enamide?
The canonical SMILES for N-[3-[3-(dipropylamino)propoxy]-4-methoxyphenyl]-3-(4-propylphenyl)prop-2-enamide is CCCc1ccc(C=CC(=O)Nc2ccc(OC)c(OCCCN(CCC)CCC)c2)cc1.
What is the InChIKey of N-[3-[3-(dipropylamino)propoxy]-4-methoxyphenyl]-3-(4-propylphenyl)prop-2-enamide?
The InChIKey is AMWFZGGRPLJISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N2O3/c1-5-9-23-10-12-24(13-11-23)14-17-28(31)29-25-15-16-26(32-4)27(22-25)33-21-8-20-30(18-6-2)19-7-3/h10-17,22H,5-9,18-21H2,1-4H3,(H,29,31).
What are the key properties of N-[3-[3-(dipropylamino)propoxy]-4-methoxyphenyl]-3-(4-propylphenyl)prop-2-enamide?
N-[3-[3-(dipropylamino)propoxy]-4-methoxyphenyl]-3-(4-propylphenyl)prop-2-enamide has a molecular weight of 452.64 g/mol, XLogP of 6.19, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(dipropylamino)propoxy]-4-methoxyphenyl]-3-(4-propylphenyl)prop-2-enamide is sourced from PubChem (CID 70145513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).