N-ethyl-2,3-dihydroxy-N'-(2-methylbutyl)-N-[(2-methylphenyl)methyl]butanediamide

C19H30N2O4 — CID 143155220

IUPACN-ethyl-2,3-dihydroxy-N'-(2-methylbutyl)-N-[(2-methylphenyl)methyl]butanediamide
SMILESCCC(C)CNC(=O)C(O)C(O)C(=O)N(CC)Cc1ccccc1C
InChIInChI=1S/C19H30N2O4/c1-5-13(3)11-20-18(24)16(22)17(23)19(25)21(6-2)12-15-10-8-7-9-14(15)4/h7-10,13,16-17,22-23H,5-6,11-12H2,1-4H3,(H,20,24)
InChIKeyWRDAUKUCJHYPRT-UHFFFAOYSA-N
MW350.46 g/mol
LogP1.23
Rot. Bonds9

About N-ethyl-2,3-dihydroxy-N'-(2-methylbutyl)-N-[(2-methylphenyl)methyl]butanediamide

N-ethyl-2,3-dihydroxy-N'-(2-methylbutyl)-N-[(2-methylphenyl)methyl]butanediamide (PubChem CID 143155220) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-ethyl-2,3-dihydroxy-N'-(2-methylbutyl)-N-[(2-methylphenyl)methyl]butanediamide.

Molecular Properties

Compound NameN-ethyl-2,3-dihydroxy-N'-(2-methylbutyl)-N-[(2-methylphenyl)methyl]butanediamide
PubChem CID143155220
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC NameN-ethyl-2,3-dihydroxy-N'-(2-methylbutyl)-N-[(2-methylphenyl)methyl]butanediamide
SMILESCCC(C)CNC(=O)C(O)C(O)C(=O)N(CC)Cc1ccccc1C
InChIInChI=1S/C19H30N2O4/c1-5-13(3)11-20-18(24)16(22)17(23)19(25)21(6-2)12-15-10-8-7-9-14(15)4/h7-10,13,16-17,22-23H,5-6,11-12H2,1-4H3,(H,20,24)
InChIKeyWRDAUKUCJHYPRT-UHFFFAOYSA-N
XLogP1.23
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-methyl-3-(methylamino)-N-[(2-methylphenyl)methyl]propanamide;hydrochloride
CID 119722155
N-ethyl-4-hydroxy-N-[(2-methylphenyl)methyl]pentanamide
CID 79204952
(2R,3R)-N-benzyl-N'-[4-(2-cyanoanilino)-2-methylbutyl]-N-ethyl-2,3-dihydroxybutanediamide
CID 143154273
N-ethyl-2-hydroxy-4-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 112817397
2-[acetyl-[(2-methylphenyl)methyl]amino]-N-butan-2-ylacetamide
CID 113161359
4-[ethyl-[(2-methylphenyl)methyl]amino]-4-oxobutanoic acid
CID 39351791
2-(tert-butylamino)-N-ethyl-N-[(2-methylphenyl)methyl]acetamide
CID 112727493
2-[ethyl-[(2-methylphenyl)methylcarbamoyl]amino]acetic acid
CID 61205004
N-[(2-aminophenyl)methyl]-N-ethyl-2-methylbutanamide
CID 43459253
N,N-diethyl-2-[(2-methylphenyl)methylsulfanyl]propanamide
CID 78841431
1-ethyl-3-(4-hydroxycyclohexyl)-1-[(2-methylphenyl)methyl]urea
CID 110894693
4-(aminomethyl)-N-ethyl-N-[(2-methylphenyl)methyl]benzamide
CID 43587256

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,3-dihydroxy-N'-(2-methylbutyl)-N-[(2-methylphenyl)methyl]butanediamide?
The IUPAC name of N-ethyl-2,3-dihydroxy-N'-(2-methylbutyl)-N-[(2-methylphenyl)methyl]butanediamide (CID 143155220) is N-ethyl-2,3-dihydroxy-N'-(2-methylbutyl)-N-[(2-methylphenyl)methyl]butanediamide.
What is the SMILES notation for N-ethyl-2,3-dihydroxy-N'-(2-methylbutyl)-N-[(2-methylphenyl)methyl]butanediamide?
The canonical SMILES for N-ethyl-2,3-dihydroxy-N'-(2-methylbutyl)-N-[(2-methylphenyl)methyl]butanediamide is CCC(C)CNC(=O)C(O)C(O)C(=O)N(CC)Cc1ccccc1C.
What is the InChIKey of N-ethyl-2,3-dihydroxy-N'-(2-methylbutyl)-N-[(2-methylphenyl)methyl]butanediamide?
The InChIKey is WRDAUKUCJHYPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-5-13(3)11-20-18(24)16(22)17(23)19(25)21(6-2)12-15-10-8-7-9-14(15)4/h7-10,13,16-17,22-23H,5-6,11-12H2,1-4H3,(H,20,24).
What are the key properties of N-ethyl-2,3-dihydroxy-N'-(2-methylbutyl)-N-[(2-methylphenyl)methyl]butanediamide?
N-ethyl-2,3-dihydroxy-N'-(2-methylbutyl)-N-[(2-methylphenyl)methyl]butanediamide has a molecular weight of 350.46 g/mol, XLogP of 1.23, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,3-dihydroxy-N'-(2-methylbutyl)-N-[(2-methylphenyl)methyl]butanediamide is sourced from PubChem (CID 143155220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).