4-[[2-(aminomethyl)-3-methylbutanoyl]amino]-N-(2-hydroxyethyl)benzamide

C15H23N3O3 — CID 65225263

IUPAC4-[[2-(aminomethyl)-3-methylbutanoyl]amino]-N-(2-hydroxyethyl)benzamide
SMILESCC(C)C(CN)C(=O)Nc1ccc(C(=O)NCCO)cc1
InChIInChI=1S/C15H23N3O3/c1-10(2)13(9-16)15(21)18-12-5-3-11(4-6-12)14(20)17-7-8-19/h3-6,10,13,19H,7-9,16H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyPKDGMWDTRJWTFT-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.58
Rot. Bonds7

About 4-[[2-(aminomethyl)-3-methylbutanoyl]amino]-N-(2-hydroxyethyl)benzamide

4-[[2-(aminomethyl)-3-methylbutanoyl]amino]-N-(2-hydroxyethyl)benzamide (PubChem CID 65225263) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-[[2-(aminomethyl)-3-methylbutanoyl]amino]-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name4-[[2-(aminomethyl)-3-methylbutanoyl]amino]-N-(2-hydroxyethyl)benzamide
PubChem CID65225263
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name4-[[2-(aminomethyl)-3-methylbutanoyl]amino]-N-(2-hydroxyethyl)benzamide
SMILESCC(C)C(CN)C(=O)Nc1ccc(C(=O)NCCO)cc1
InChIInChI=1S/C15H23N3O3/c1-10(2)13(9-16)15(21)18-12-5-3-11(4-6-12)14(20)17-7-8-19/h3-6,10,13,19H,7-9,16H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyPKDGMWDTRJWTFT-UHFFFAOYSA-N
XLogP0.58
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(aminomethyl)-3-methylbutanoyl]amino]-N-prop-2-enylbenzamide
CID 65230297
4-[(2-aminoacetyl)amino]-N-(2-hydroxyethyl)benzamide
CID 43710446
N-(2-hydroxyethyl)-4-[(2-propan-2-yloxyacetyl)amino]benzamide
CID 115950038
4-[[(2R)-2-aminopropanoyl]amino]-N-propylbenzamide;hydrochloride
CID 119297917
4-[(3-amino-3-methylbutanoyl)amino]-N-(2-hydroxyethyl)benzamide
CID 64683641
2-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]-3-methylbutanamide
CID 115376625
2-hydroxyethyl N-[4-(2-hydroxyethylcarbamoyl)phenyl]carbamate
CID 79346016
N-(4-acetylphenyl)-2-(2-aminoethyl)-3-methylbutanamide
CID 112516969
2-(aminomethyl)-N-[4-(dimethylsulfamoyl)phenyl]-3-methylbutanamide
CID 65226088
4-(2-aminopropanoylamino)-N-ethylbenzamide
CID 43712262
N-(2-hydroxyethyl)-4-(2-methylbutylamino)benzamide
CID 43742088
2-(aminomethyl)-N-[4-(ethylsulfamoyl)phenyl]-3-methylbutanamide
CID 65225218

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(aminomethyl)-3-methylbutanoyl]amino]-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 4-[[2-(aminomethyl)-3-methylbutanoyl]amino]-N-(2-hydroxyethyl)benzamide (CID 65225263) is 4-[[2-(aminomethyl)-3-methylbutanoyl]amino]-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 4-[[2-(aminomethyl)-3-methylbutanoyl]amino]-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 4-[[2-(aminomethyl)-3-methylbutanoyl]amino]-N-(2-hydroxyethyl)benzamide is CC(C)C(CN)C(=O)Nc1ccc(C(=O)NCCO)cc1.
What is the InChIKey of 4-[[2-(aminomethyl)-3-methylbutanoyl]amino]-N-(2-hydroxyethyl)benzamide?
The InChIKey is PKDGMWDTRJWTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10(2)13(9-16)15(21)18-12-5-3-11(4-6-12)14(20)17-7-8-19/h3-6,10,13,19H,7-9,16H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of 4-[[2-(aminomethyl)-3-methylbutanoyl]amino]-N-(2-hydroxyethyl)benzamide?
4-[[2-(aminomethyl)-3-methylbutanoyl]amino]-N-(2-hydroxyethyl)benzamide has a molecular weight of 293.37 g/mol, XLogP of 0.58, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(aminomethyl)-3-methylbutanoyl]amino]-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 65225263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).