N-[2-(dimethylamino)ethyl]-3-(4-hydroxy-3-methoxyphenyl)propanamide

C14H22N2O3 — CID 11960435

IUPACN-[2-(dimethylamino)ethyl]-3-(4-hydroxy-3-methoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)NCCN(C)C)ccc1O
InChIInChI=1S/C14H22N2O3/c1-16(2)9-8-15-14(18)7-5-11-4-6-12(17)13(10-11)19-3/h4,6,10,17H,5,7-9H2,1-3H3,(H,15,18)
InChIKeyBDVOTHGKPRBNJJ-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.01
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-3-(4-hydroxy-3-methoxyphenyl)propanamide

N-[2-(dimethylamino)ethyl]-3-(4-hydroxy-3-methoxyphenyl)propanamide (PubChem CID 11960435) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-(4-hydroxy-3-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-(4-hydroxy-3-methoxyphenyl)propanamide
PubChem CID11960435
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-[2-(dimethylamino)ethyl]-3-(4-hydroxy-3-methoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)NCCN(C)C)ccc1O
InChIInChI=1S/C14H22N2O3/c1-16(2)9-8-15-14(18)7-5-11-4-6-12(17)13(10-11)19-3/h4,6,10,17H,5,7-9H2,1-3H3,(H,15,18)
InChIKeyBDVOTHGKPRBNJJ-UHFFFAOYSA-N
XLogP1.01
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 102585862
N,N'-bis[2-(dimethylamino)ethyl]-2-[(4-hydroxy-3-methoxyphenyl)methyl]propanediamide
CID 11960551
N-[2-(dimethylamino)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 11960750
3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]propanamide
CID 28712797
2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]acetamide
CID 73292355
CID 175936648
CID 175936648
N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]butanamide
CID 108574268
3-[(4-hydroxy-3-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 103737026
magnesium bis(3-(4-hydroxy-3-methoxyphenyl)propanoate)
CID 154644614
N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]-2-hydroxybenzamide
CID 108540073
N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]-3,4,5-trihydroxybenzamide
CID 108540155
3-[3-amino-4-(2-methylpropoxy)phenyl]-N-[2-(dimethylamino)ethyl]propanamide
CID 94759123

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-(4-hydroxy-3-methoxyphenyl)propanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-(4-hydroxy-3-methoxyphenyl)propanamide (CID 11960435) is N-[2-(dimethylamino)ethyl]-3-(4-hydroxy-3-methoxyphenyl)propanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-(4-hydroxy-3-methoxyphenyl)propanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-(4-hydroxy-3-methoxyphenyl)propanamide is COc1cc(CCC(=O)NCCN(C)C)ccc1O.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-(4-hydroxy-3-methoxyphenyl)propanamide?
The InChIKey is BDVOTHGKPRBNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-16(2)9-8-15-14(18)7-5-11-4-6-12(17)13(10-11)19-3/h4,6,10,17H,5,7-9H2,1-3H3,(H,15,18).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-(4-hydroxy-3-methoxyphenyl)propanamide?
N-[2-(dimethylamino)ethyl]-3-(4-hydroxy-3-methoxyphenyl)propanamide has a molecular weight of 266.34 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-(4-hydroxy-3-methoxyphenyl)propanamide is sourced from PubChem (CID 11960435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).