N-[2-[di(propan-2-yl)amino]ethyl]-3-(4-methoxyphenyl)propanamide

C18H30N2O2 — CID 78798639

IUPACN-[2-[di(propan-2-yl)amino]ethyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCCN(C(C)C)C(C)C)cc1
InChIInChI=1S/C18H30N2O2/c1-14(2)20(15(3)4)13-12-19-18(21)11-8-16-6-9-17(22-5)10-7-16/h6-7,9-10,14-15H,8,11-13H2,1-5H3,(H,19,21)
InChIKeyVKOCLLKSXQQPTD-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.86
Rot. Bonds9

About N-[2-[di(propan-2-yl)amino]ethyl]-3-(4-methoxyphenyl)propanamide

N-[2-[di(propan-2-yl)amino]ethyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 78798639) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]-3-(4-methoxyphenyl)propanamide
PubChem CID78798639
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCCN(C(C)C)C(C)C)cc1
InChIInChI=1S/C18H30N2O2/c1-14(2)20(15(3)4)13-12-19-18(21)11-8-16-6-9-17(22-5)10-7-16/h6-7,9-10,14-15H,8,11-13H2,1-5H3,(H,19,21)
InChIKeyVKOCLLKSXQQPTD-UHFFFAOYSA-N
XLogP2.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[di(propan-2-yl)amino]ethyl]-3-(4-methoxyphenyl)propanamide 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-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide
CID 4661025
N-(3-aminobutyl)-3-(4-methoxyphenyl)propanamide;hydrochloride
CID 119498019
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(4-methoxyphenyl)propanamide
CID 16889384
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
1-[2-[di(propan-2-yl)amino]ethyl]-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111170680
5-[3-(4-methoxyphenyl)propanoylamino]-2-methylpentanoic acid
CID 104682662
3-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18107472
N-(3-bromopropyl)-3-(4-methoxyphenyl)propanamide
CID 43133571
N-(5-amino-4-methylpentyl)-3-(4-methoxyphenyl)propanamide
CID 106153300
N-[2-(4-methoxyphenyl)ethyl]-5-methyl-4-oxohexanamide
CID 166676905
3-(4-methoxyphenyl)-N-[(2S)-2-[3-(4-methoxyphenyl)propanoylamino]propyl]propanamide
CID 40592074
N-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 115577590

Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-3-(4-methoxyphenyl)propanamide (CID 78798639) is N-[2-[di(propan-2-yl)amino]ethyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NCCN(C(C)C)C(C)C)cc1.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is VKOCLLKSXQQPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-14(2)20(15(3)4)13-12-19-18(21)11-8-16-6-9-17(22-5)10-7-16/h6-7,9-10,14-15H,8,11-13H2,1-5H3,(H,19,21).
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]-3-(4-methoxyphenyl)propanamide?
N-[2-[di(propan-2-yl)amino]ethyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 306.45 g/mol, XLogP of 2.86, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(propan-2-yl)amino]ethyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 78798639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).