N-(2-hydroxyethyl)-4-(1-methoxypropan-2-ylamino)benzamide

C13H20N2O3 — CID 55086136

IUPACN-(2-hydroxyethyl)-4-(1-methoxypropan-2-ylamino)benzamide
SMILESCOCC(C)Nc1ccc(C(=O)NCCO)cc1
InChIInChI=1S/C13H20N2O3/c1-10(9-18-2)15-12-5-3-11(4-6-12)13(17)14-7-8-16/h3-6,10,15-16H,7-9H2,1-2H3,(H,14,17)
InChIKeyMUDVZUTUMKSPDZ-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.86
Rot. Bonds7

About N-(2-hydroxyethyl)-4-(1-methoxypropan-2-ylamino)benzamide

N-(2-hydroxyethyl)-4-(1-methoxypropan-2-ylamino)benzamide (PubChem CID 55086136) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-(1-methoxypropan-2-ylamino)benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-(1-methoxypropan-2-ylamino)benzamide
PubChem CID55086136
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-(2-hydroxyethyl)-4-(1-methoxypropan-2-ylamino)benzamide
SMILESCOCC(C)Nc1ccc(C(=O)NCCO)cc1
InChIInChI=1S/C13H20N2O3/c1-10(9-18-2)15-12-5-3-11(4-6-12)13(17)14-7-8-16/h3-6,10,15-16H,7-9H2,1-2H3,(H,14,17)
InChIKeyMUDVZUTUMKSPDZ-UHFFFAOYSA-N
XLogP0.86
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-(1-methoxypropan-2-ylamino)benzamide
CID 62534322
1-[4-(1-methoxypropan-2-ylamino)phenyl]ethanone
CID 115576830
1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide
CID 25476067
4-(heptan-3-ylamino)-N-(2-hydroxyethyl)benzamide
CID 63944752
N-(2-hydroxyethyl)-4-[(2-propan-2-yloxyacetyl)amino]benzamide
CID 115950038
N-(2-hydroxyethyl)-4-(2-methylbutylamino)benzamide
CID 43742088
4-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(2-hydroxyethyl)benzamide
CID 43742133
2-hydroxyethyl N-[4-(2-hydroxyethylcarbamoyl)phenyl]carbamate
CID 79346016
4-butan-2-yl-N-(2-hydroxyethyl)benzamide
CID 18724737
4-chloro-N-[4-(1-methoxypropan-2-ylamino)-4-oxobutyl]benzamide
CID 18161035
4-chloro-N-[4-[[(2R)-1-methoxypropan-2-yl]amino]-4-oxobutyl]benzamide
CID 30481575
4-[[2-(aminomethyl)-3-methylbutanoyl]amino]-N-(2-hydroxyethyl)benzamide
CID 65225263

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-(1-methoxypropan-2-ylamino)benzamide?
The IUPAC name of N-(2-hydroxyethyl)-4-(1-methoxypropan-2-ylamino)benzamide (CID 55086136) is N-(2-hydroxyethyl)-4-(1-methoxypropan-2-ylamino)benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-(1-methoxypropan-2-ylamino)benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-(1-methoxypropan-2-ylamino)benzamide is COCC(C)Nc1ccc(C(=O)NCCO)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-4-(1-methoxypropan-2-ylamino)benzamide?
The InChIKey is MUDVZUTUMKSPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-10(9-18-2)15-12-5-3-11(4-6-12)13(17)14-7-8-16/h3-6,10,15-16H,7-9H2,1-2H3,(H,14,17).
What are the key properties of N-(2-hydroxyethyl)-4-(1-methoxypropan-2-ylamino)benzamide?
N-(2-hydroxyethyl)-4-(1-methoxypropan-2-ylamino)benzamide has a molecular weight of 252.31 g/mol, XLogP of 0.86, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-(1-methoxypropan-2-ylamino)benzamide is sourced from PubChem (CID 55086136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).