N-[3-(4-methoxyphenyl)propyl]-N,2-dimethyl-3-(methylamino)propanamide

C16H26N2O2 — CID 119739239

IUPACN-[3-(4-methoxyphenyl)propyl]-N,2-dimethyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)N(C)CCCc1ccc(OC)cc1
InChIInChI=1S/C16H26N2O2/c1-13(12-17-2)16(19)18(3)11-5-6-14-7-9-15(20-4)10-8-14/h7-10,13,17H,5-6,11-12H2,1-4H3
InChIKeySBFNIMZDWZYVRB-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.94
Rot. Bonds8

About N-[3-(4-methoxyphenyl)propyl]-N,2-dimethyl-3-(methylamino)propanamide

N-[3-(4-methoxyphenyl)propyl]-N,2-dimethyl-3-(methylamino)propanamide (PubChem CID 119739239) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[3-(4-methoxyphenyl)propyl]-N,2-dimethyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[3-(4-methoxyphenyl)propyl]-N,2-dimethyl-3-(methylamino)propanamide
PubChem CID119739239
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[3-(4-methoxyphenyl)propyl]-N,2-dimethyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)N(C)CCCc1ccc(OC)cc1
InChIInChI=1S/C16H26N2O2/c1-13(12-17-2)16(19)18(3)11-5-6-14-7-9-15(20-4)10-8-14/h7-10,13,17H,5-6,11-12H2,1-4H3
InChIKeySBFNIMZDWZYVRB-UHFFFAOYSA-N
XLogP1.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxypropyl)-N,2-dimethyl-3-(methylamino)propanamide
CID 79202132
N,2-dimethyl-3-(methylamino)-N-(2-pyridin-4-ylethyl)propanamide;dihydrochloride
CID 119958504
4-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylpentanamide;hydrochloride
CID 120560875
N-[2-(2-methoxyphenyl)ethyl]-N,2-dimethyl-3-(methylamino)propanamide
CID 119776514
2-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylacetamide;hydrochloride
CID 119298042
3-[3-(4-methoxyphenyl)propyl-methylamino]propanoic acid
CID 19776427
N,2-dimethyl-3-(methylamino)-N-pentylpropanamide
CID 79195913
3-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylbenzamide;hydrochloride
CID 119739240
1-[2-(4-methoxyphenyl)ethyl]-1-methylurea
CID 115168599
3,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide
CID 110287948
2-[2-(4-methoxyphenyl)ethyl-methylamino]propanoic acid
CID 62638720
4-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylpyridine-3-carboxamide;hydrochloride
CID 126805410

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyphenyl)propyl]-N,2-dimethyl-3-(methylamino)propanamide?
The IUPAC name of N-[3-(4-methoxyphenyl)propyl]-N,2-dimethyl-3-(methylamino)propanamide (CID 119739239) is N-[3-(4-methoxyphenyl)propyl]-N,2-dimethyl-3-(methylamino)propanamide.
What is the SMILES notation for N-[3-(4-methoxyphenyl)propyl]-N,2-dimethyl-3-(methylamino)propanamide?
The canonical SMILES for N-[3-(4-methoxyphenyl)propyl]-N,2-dimethyl-3-(methylamino)propanamide is CNCC(C)C(=O)N(C)CCCc1ccc(OC)cc1.
What is the InChIKey of N-[3-(4-methoxyphenyl)propyl]-N,2-dimethyl-3-(methylamino)propanamide?
The InChIKey is SBFNIMZDWZYVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-13(12-17-2)16(19)18(3)11-5-6-14-7-9-15(20-4)10-8-14/h7-10,13,17H,5-6,11-12H2,1-4H3.
What are the key properties of N-[3-(4-methoxyphenyl)propyl]-N,2-dimethyl-3-(methylamino)propanamide?
N-[3-(4-methoxyphenyl)propyl]-N,2-dimethyl-3-(methylamino)propanamide has a molecular weight of 278.40 g/mol, XLogP of 1.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxyphenyl)propyl]-N,2-dimethyl-3-(methylamino)propanamide is sourced from PubChem (CID 119739239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).