N-(1-ethoxypropan-2-yl)-5-methyl-2-(propylamino)benzamide

C16H26N2O2 — CID 62510998

IUPACN-(1-ethoxypropan-2-yl)-5-methyl-2-(propylamino)benzamide
SMILESCCCNc1ccc(C)cc1C(=O)NC(C)COCC
InChIInChI=1S/C16H26N2O2/c1-5-9-17-15-8-7-12(3)10-14(15)16(19)18-13(4)11-20-6-2/h7-8,10,13,17H,5-6,9,11H2,1-4H3,(H,18,19)
InChIKeyRFVFXUZSPHUEOJ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.97
Rot. Bonds8

About N-(1-ethoxypropan-2-yl)-5-methyl-2-(propylamino)benzamide

N-(1-ethoxypropan-2-yl)-5-methyl-2-(propylamino)benzamide (PubChem CID 62510998) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(1-ethoxypropan-2-yl)-5-methyl-2-(propylamino)benzamide.

Molecular Properties

Compound NameN-(1-ethoxypropan-2-yl)-5-methyl-2-(propylamino)benzamide
PubChem CID62510998
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-(1-ethoxypropan-2-yl)-5-methyl-2-(propylamino)benzamide
SMILESCCCNc1ccc(C)cc1C(=O)NC(C)COCC
InChIInChI=1S/C16H26N2O2/c1-5-9-17-15-8-7-12(3)10-14(15)16(19)18-13(4)11-20-6-2/h7-8,10,13,17H,5-6,9,11H2,1-4H3,(H,18,19)
InChIKeyRFVFXUZSPHUEOJ-UHFFFAOYSA-N
XLogP2.97
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-(3-methylbutan-2-yl)-2-(propylamino)benzamide
CID 55083225
5-methyl-N-(1-methylsulfonylpropan-2-yl)-2-(propylamino)benzamide
CID 64642886
N-(dicyclopropylmethyl)-5-methyl-2-(propylamino)benzamide
CID 62510099
5-methyl-N-(1-methylcyclopropyl)-2-(propylamino)benzamide
CID 113485988
N-heptan-2-yl-5-methyl-2-(methylamino)benzamide
CID 62509942
N-(1-ethoxypropan-2-yl)-2-methyl-5-sulfanylbenzamide
CID 107027091
N-(4-chlorophenyl)-5-methyl-2-(propylamino)benzamide
CID 63501109
2-(1-ethoxypropan-2-ylcarbamoyl)-3,6-dimethylbenzoic acid
CID 103429008
5-chloro-N-(3-methylbutan-2-yl)-2-(propylamino)benzamide
CID 55042381
5-methyl-N-(1-methylcyclohexyl)-2-(propylamino)benzamide
CID 63499534
2-(ethylamino)-5-methyl-N-propylbenzamide
CID 62509654
N-(1-ethoxypropan-2-yl)-3-hydroxy-2-methylbenzamide
CID 82828956

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxypropan-2-yl)-5-methyl-2-(propylamino)benzamide?
The IUPAC name of N-(1-ethoxypropan-2-yl)-5-methyl-2-(propylamino)benzamide (CID 62510998) is N-(1-ethoxypropan-2-yl)-5-methyl-2-(propylamino)benzamide.
What is the SMILES notation for N-(1-ethoxypropan-2-yl)-5-methyl-2-(propylamino)benzamide?
The canonical SMILES for N-(1-ethoxypropan-2-yl)-5-methyl-2-(propylamino)benzamide is CCCNc1ccc(C)cc1C(=O)NC(C)COCC.
What is the InChIKey of N-(1-ethoxypropan-2-yl)-5-methyl-2-(propylamino)benzamide?
The InChIKey is RFVFXUZSPHUEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-9-17-15-8-7-12(3)10-14(15)16(19)18-13(4)11-20-6-2/h7-8,10,13,17H,5-6,9,11H2,1-4H3,(H,18,19).
What are the key properties of N-(1-ethoxypropan-2-yl)-5-methyl-2-(propylamino)benzamide?
N-(1-ethoxypropan-2-yl)-5-methyl-2-(propylamino)benzamide has a molecular weight of 278.40 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxypropan-2-yl)-5-methyl-2-(propylamino)benzamide is sourced from PubChem (CID 62510998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).