3-(2,3-dihydroxypropylamino)-4-methyl-N-propylbenzamide

C14H22N2O3 — CID 168593224

IUPAC3-(2,3-dihydroxypropylamino)-4-methyl-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(C)c(NCC(O)CO)c1
InChIInChI=1S/C14H22N2O3/c1-3-6-15-14(19)11-5-4-10(2)13(7-11)16-8-12(18)9-17/h4-5,7,12,16-18H,3,6,8-9H2,1-2H3,(H,15,19)
InChIKeyJJNNTTNDDFFFIG-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.90
Rot. Bonds7

About 3-(2,3-dihydroxypropylamino)-4-methyl-N-propylbenzamide

3-(2,3-dihydroxypropylamino)-4-methyl-N-propylbenzamide (PubChem CID 168593224) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-(2,3-dihydroxypropylamino)-4-methyl-N-propylbenzamide.

Molecular Properties

Compound Name3-(2,3-dihydroxypropylamino)-4-methyl-N-propylbenzamide
PubChem CID168593224
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-(2,3-dihydroxypropylamino)-4-methyl-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(C)c(NCC(O)CO)c1
InChIInChI=1S/C14H22N2O3/c1-3-6-15-14(19)11-5-4-10(2)13(7-11)16-8-12(18)9-17/h4-5,7,12,16-18H,3,6,8-9H2,1-2H3,(H,15,19)
InChIKeyJJNNTTNDDFFFIG-UHFFFAOYSA-N
XLogP0.90
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-chloro-2-hydroxypropyl)amino]-4-methyl-N-(2-methylpropyl)benzamide
CID 168637118
3-(carbamothioylamino)-4-methyl-N-propylbenzamide
CID 169356590
3-(2,2-dicyanoethenylamino)-4-methyl-N-propylbenzamide
CID 168541919
4-methyl-3-(2-methylpropanoylcarbamothioylamino)-N-propylbenzamide
CID 163639215
3-acetamido-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide
CID 86991520
N-[(2S)-2,3-dihydroxypropyl]-3-methylbenzamide
CID 40653428
3-(butylamino)-N,4-dimethylbenzamide
CID 43726955
2,3-dihydroxypropyl 3-(2,3-dihydroxypropylamino)-4-propoxybenzoate
CID 168594330
4-azido-3-methyl-N-propylbenzamide
CID 150918172
1-[3-tert-butyl-4-(2,3-dihydroxypropylamino)phenyl]ethanone
CID 168597514
3-acetamido-4-methoxy-N-propylbenzamide
CID 110764204
2-(2,3-dihydroxypropylamino)-N-(2,5-dimethylphenyl)benzamide
CID 168596784

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroxypropylamino)-4-methyl-N-propylbenzamide?
The IUPAC name of 3-(2,3-dihydroxypropylamino)-4-methyl-N-propylbenzamide (CID 168593224) is 3-(2,3-dihydroxypropylamino)-4-methyl-N-propylbenzamide.
What is the SMILES notation for 3-(2,3-dihydroxypropylamino)-4-methyl-N-propylbenzamide?
The canonical SMILES for 3-(2,3-dihydroxypropylamino)-4-methyl-N-propylbenzamide is CCCNC(=O)c1ccc(C)c(NCC(O)CO)c1.
What is the InChIKey of 3-(2,3-dihydroxypropylamino)-4-methyl-N-propylbenzamide?
The InChIKey is JJNNTTNDDFFFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-6-15-14(19)11-5-4-10(2)13(7-11)16-8-12(18)9-17/h4-5,7,12,16-18H,3,6,8-9H2,1-2H3,(H,15,19).
What are the key properties of 3-(2,3-dihydroxypropylamino)-4-methyl-N-propylbenzamide?
3-(2,3-dihydroxypropylamino)-4-methyl-N-propylbenzamide has a molecular weight of 266.34 g/mol, XLogP of 0.90, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroxypropylamino)-4-methyl-N-propylbenzamide is sourced from PubChem (CID 168593224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).