N-[2-[3-(hydroxymethyl)pentan-3-ylamino]-2-oxoethyl]benzamide

C15H22N2O3 — CID 62520110

IUPACN-[2-[3-(hydroxymethyl)pentan-3-ylamino]-2-oxoethyl]benzamide
SMILESCCC(CC)(CO)NC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-3-15(4-2,11-18)17-13(19)10-16-14(20)12-8-6-5-7-9-12/h5-9,18H,3-4,10-11H2,1-2H3,(H,16,20)(H,17,19)
InChIKeyNIFGGBSLBPMFTR-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.08
Rot. Bonds7

About N-[2-[3-(hydroxymethyl)pentan-3-ylamino]-2-oxoethyl]benzamide

N-[2-[3-(hydroxymethyl)pentan-3-ylamino]-2-oxoethyl]benzamide (PubChem CID 62520110) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[2-[3-(hydroxymethyl)pentan-3-ylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[3-(hydroxymethyl)pentan-3-ylamino]-2-oxoethyl]benzamide
PubChem CID62520110
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[2-[3-(hydroxymethyl)pentan-3-ylamino]-2-oxoethyl]benzamide
SMILESCCC(CC)(CO)NC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-3-15(4-2,11-18)17-13(19)10-16-14(20)12-8-6-5-7-9-12/h5-9,18H,3-4,10-11H2,1-2H3,(H,16,20)(H,17,19)
InChIKeyNIFGGBSLBPMFTR-UHFFFAOYSA-N
XLogP1.08
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 55209778
N-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide
CID 103602596
2-fluoro-N-[2-[3-(hydroxymethyl)pentan-3-ylamino]-2-oxoethyl]benzamide
CID 62517227
2-[(2-benzamidoacetyl)amino]-2-methylpropanoic acid
CID 61262989
N-[2-[(4-hydroxy-2-methylbutan-2-yl)amino]-2-oxoethyl]benzamide
CID 115869842
N-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethyl]furan-2-carboxamide
CID 103602259
N-[2-[(1-hydroxy-2-methylbutan-2-yl)amino]-2-oxoethyl]-4-methylbenzamide
CID 64557985
[(2S)-2-benzamido-2-(hydroxymethyl)butyl] benzoate
CID 24865317
N-ethylbenzamide
CID 160772566
ethyl 2-[(2-benzamidoacetyl)amino]-2-tert-butylsulfanylpropanoate
CID 90111327
N-[2-oxo-2-[2-(propylamino)ethylamino]ethyl]benzamide
CID 62658623
2-(ethylamino)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
CID 62521058

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(hydroxymethyl)pentan-3-ylamino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[3-(hydroxymethyl)pentan-3-ylamino]-2-oxoethyl]benzamide (CID 62520110) is N-[2-[3-(hydroxymethyl)pentan-3-ylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[3-(hydroxymethyl)pentan-3-ylamino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[3-(hydroxymethyl)pentan-3-ylamino]-2-oxoethyl]benzamide is CCC(CC)(CO)NC(=O)CNC(=O)c1ccccc1.
What is the InChIKey of N-[2-[3-(hydroxymethyl)pentan-3-ylamino]-2-oxoethyl]benzamide?
The InChIKey is NIFGGBSLBPMFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-15(4-2,11-18)17-13(19)10-16-14(20)12-8-6-5-7-9-12/h5-9,18H,3-4,10-11H2,1-2H3,(H,16,20)(H,17,19).
What are the key properties of N-[2-[3-(hydroxymethyl)pentan-3-ylamino]-2-oxoethyl]benzamide?
N-[2-[3-(hydroxymethyl)pentan-3-ylamino]-2-oxoethyl]benzamide has a molecular weight of 278.35 g/mol, XLogP of 1.08, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(hydroxymethyl)pentan-3-ylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 62520110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).