N-[2-(dimethylamino)ethyl]-3,5-dihydroxy-N-propylbenzamide

C14H22N2O3 — CID 104939182

IUPACN-[2-(dimethylamino)ethyl]-3,5-dihydroxy-N-propylbenzamide
SMILESCCCN(CCN(C)C)C(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C14H22N2O3/c1-4-5-16(7-6-15(2)3)14(19)11-8-12(17)10-13(18)9-11/h8-10,17-18H,4-7H2,1-3H3
InChIKeyJWTCKHZAOBXMNZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.51
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-3,5-dihydroxy-N-propylbenzamide

N-[2-(dimethylamino)ethyl]-3,5-dihydroxy-N-propylbenzamide (PubChem CID 104939182) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3,5-dihydroxy-N-propylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3,5-dihydroxy-N-propylbenzamide
PubChem CID104939182
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-[2-(dimethylamino)ethyl]-3,5-dihydroxy-N-propylbenzamide
SMILESCCCN(CCN(C)C)C(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C14H22N2O3/c1-4-5-16(7-6-15(2)3)14(19)11-8-12(17)10-13(18)9-11/h8-10,17-18H,4-7H2,1-3H3
InChIKeyJWTCKHZAOBXMNZ-UHFFFAOYSA-N
XLogP1.51
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-3,5-dihydroxy-N-methylbenzamide
CID 104939111
3-hydroxy-5-methoxy-N,N-dipropylbenzamide
CID 101268290
3-amino-N-[2-(dimethylamino)ethyl]-5-methoxy-N-propylbenzamide
CID 81089994
N-[2-(dimethylamino)ethyl]-2-fluoro-4-hydroxy-N-propylbenzamide
CID 104929967
2-[(3,5-dihydroxybenzoyl)-ethylamino]acetic acid
CID 107702457
N-ethyl-3,5-dihydroxy-N-(2-methylprop-2-enyl)benzamide
CID 113347115
N-[2-(dimethylamino)ethyl]-4-(N'-hydroxycarbamimidoyl)-N-propylbenzamide
CID 76929707
3-hydroxy-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60655677
3,5-dihydroxy-N,N-dimethylbenzamide
CID 103893165
N-[2-(dimethylamino)ethyl]-3-fluoro-4-nitro-N-propylbenzamide
CID 62682179
3,5-dibromo-N-(2-bromoethyl)-N-propylbenzamide
CID 107974886
N-butyl-3,5-dimethyl-N-propylbenzamide
CID 142843547

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3,5-dihydroxy-N-propylbenzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3,5-dihydroxy-N-propylbenzamide (CID 104939182) is N-[2-(dimethylamino)ethyl]-3,5-dihydroxy-N-propylbenzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3,5-dihydroxy-N-propylbenzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3,5-dihydroxy-N-propylbenzamide is CCCN(CCN(C)C)C(=O)c1cc(O)cc(O)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3,5-dihydroxy-N-propylbenzamide?
The InChIKey is JWTCKHZAOBXMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-4-5-16(7-6-15(2)3)14(19)11-8-12(17)10-13(18)9-11/h8-10,17-18H,4-7H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-3,5-dihydroxy-N-propylbenzamide?
N-[2-(dimethylamino)ethyl]-3,5-dihydroxy-N-propylbenzamide has a molecular weight of 266.34 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3,5-dihydroxy-N-propylbenzamide is sourced from PubChem (CID 104939182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).