N-(2-hydroxyethyl)-4-(2-methylbutylamino)benzamide

C14H22N2O2 — CID 43742088

IUPACN-(2-hydroxyethyl)-4-(2-methylbutylamino)benzamide
SMILESCCC(C)CNc1ccc(C(=O)NCCO)cc1
InChIInChI=1S/C14H22N2O2/c1-3-11(2)10-16-13-6-4-12(5-7-13)14(18)15-8-9-17/h4-7,11,16-17H,3,8-10H2,1-2H3,(H,15,18)
InChIKeyHKUOIKFHKRUVRY-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.87
Rot. Bonds7

About N-(2-hydroxyethyl)-4-(2-methylbutylamino)benzamide

N-(2-hydroxyethyl)-4-(2-methylbutylamino)benzamide (PubChem CID 43742088) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-(2-methylbutylamino)benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-(2-methylbutylamino)benzamide
PubChem CID43742088
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(2-hydroxyethyl)-4-(2-methylbutylamino)benzamide
SMILESCCC(C)CNc1ccc(C(=O)NCCO)cc1
InChIInChI=1S/C14H22N2O2/c1-3-11(2)10-16-13-6-4-12(5-7-13)14(18)15-8-9-17/h4-7,11,16-17H,3,8-10H2,1-2H3,(H,15,18)
InChIKeyHKUOIKFHKRUVRY-UHFFFAOYSA-N
XLogP1.87
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-butan-2-yl-N-(2-hydroxyethyl)benzamide
CID 18724737
4-(heptan-3-ylamino)-N-(2-hydroxyethyl)benzamide
CID 63944752
2-[4-(2-methylbutylamino)phenyl]ethanol
CID 61238762
4-amino-N-(2-methylbutyl)benzamide
CID 22242294
N-(2,3-dimethylbutyl)-4-(propylamino)benzamide
CID 64581359
N-(2-hydroxyethyl)-4-(1-methoxypropan-2-ylamino)benzamide
CID 55086136
4-[[2-(ethylamino)-2-methylpropanoyl]amino]-N-(2-hydroxyethyl)benzamide
CID 62833619
N-(2-hydroxyethyl)-4-[(2-propan-2-yloxyacetyl)amino]benzamide
CID 115950038
4-[(3-amino-3-methylbutanoyl)amino]-N-(2-hydroxyethyl)benzamide
CID 64683641
4-[[2-(aminomethyl)-3-methylbutanoyl]amino]-N-(2-hydroxyethyl)benzamide
CID 65225263
4-ethylsulfonyl-N-(2-hydroxyethyl)benzamide
CID 96664940
4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-(2-hydroxyethyl)benzamide
CID 79569429

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-(2-methylbutylamino)benzamide?
The IUPAC name of N-(2-hydroxyethyl)-4-(2-methylbutylamino)benzamide (CID 43742088) is N-(2-hydroxyethyl)-4-(2-methylbutylamino)benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-(2-methylbutylamino)benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-(2-methylbutylamino)benzamide is CCC(C)CNc1ccc(C(=O)NCCO)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-4-(2-methylbutylamino)benzamide?
The InChIKey is HKUOIKFHKRUVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-11(2)10-16-13-6-4-12(5-7-13)14(18)15-8-9-17/h4-7,11,16-17H,3,8-10H2,1-2H3,(H,15,18).
What are the key properties of N-(2-hydroxyethyl)-4-(2-methylbutylamino)benzamide?
N-(2-hydroxyethyl)-4-(2-methylbutylamino)benzamide has a molecular weight of 250.34 g/mol, XLogP of 1.87, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-(2-methylbutylamino)benzamide is sourced from PubChem (CID 43742088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).