N-[2-[(1-hydroxy-2-methylbutan-2-yl)amino]-2-oxoethyl]-4-methylbenzamide

C15H22N2O3 — CID 64557985

IUPACN-[2-[(1-hydroxy-2-methylbutan-2-yl)amino]-2-oxoethyl]-4-methylbenzamide
SMILESCCC(C)(CO)NC(=O)CNC(=O)c1ccc(C)cc1
InChIInChI=1S/C15H22N2O3/c1-4-15(3,10-18)17-13(19)9-16-14(20)12-7-5-11(2)6-8-12/h5-8,18H,4,9-10H2,1-3H3,(H,16,20)(H,17,19)
InChIKeyVMDDLSREKOUZQE-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.00
Rot. Bonds6

About N-[2-[(1-hydroxy-2-methylbutan-2-yl)amino]-2-oxoethyl]-4-methylbenzamide

N-[2-[(1-hydroxy-2-methylbutan-2-yl)amino]-2-oxoethyl]-4-methylbenzamide (PubChem CID 64557985) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[2-[(1-hydroxy-2-methylbutan-2-yl)amino]-2-oxoethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(1-hydroxy-2-methylbutan-2-yl)amino]-2-oxoethyl]-4-methylbenzamide
PubChem CID64557985
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[2-[(1-hydroxy-2-methylbutan-2-yl)amino]-2-oxoethyl]-4-methylbenzamide
SMILESCCC(C)(CO)NC(=O)CNC(=O)c1ccc(C)cc1
InChIInChI=1S/C15H22N2O3/c1-4-15(3,10-18)17-13(19)9-16-14(20)12-7-5-11(2)6-8-12/h5-8,18H,4,9-10H2,1-3H3,(H,16,20)(H,17,19)
InChIKeyVMDDLSREKOUZQE-UHFFFAOYSA-N
XLogP1.00
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[2-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-oxoethyl]benzamide
CID 106176497
N-(1-hydroxy-2-methylbutan-2-yl)-3-(4-methylphenyl)propanamide
CID 64558137
N-[2-(2-hydroxyethylamino)-2-oxoethyl]-4-methylbenzamide
CID 43389073
N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzamide
CID 17349905
4-(hydroxymethyl)-N-(1-hydroxy-2-methylbutan-2-yl)benzamide
CID 64558344
N-[2-[3-(hydroxymethyl)pentan-3-ylamino]-2-oxoethyl]benzamide
CID 62520110
N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]ethyl]-4-methylbenzamide
CID 60966159
N-(2-hydroxy-2-methylbutyl)-4-methylbenzamide
CID 65109665
N-(1-hydroxy-2-methylbutan-2-yl)-3,5-dimethylbenzamide
CID 64558339
N-(1-hydroxy-2-methylbutan-2-yl)-4-methoxybenzamide
CID 64557752
N-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide
CID 103602596
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]benzamide
CID 24710255

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-hydroxy-2-methylbutan-2-yl)amino]-2-oxoethyl]-4-methylbenzamide?
The IUPAC name of N-[2-[(1-hydroxy-2-methylbutan-2-yl)amino]-2-oxoethyl]-4-methylbenzamide (CID 64557985) is N-[2-[(1-hydroxy-2-methylbutan-2-yl)amino]-2-oxoethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[(1-hydroxy-2-methylbutan-2-yl)amino]-2-oxoethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[(1-hydroxy-2-methylbutan-2-yl)amino]-2-oxoethyl]-4-methylbenzamide is CCC(C)(CO)NC(=O)CNC(=O)c1ccc(C)cc1.
What is the InChIKey of N-[2-[(1-hydroxy-2-methylbutan-2-yl)amino]-2-oxoethyl]-4-methylbenzamide?
The InChIKey is VMDDLSREKOUZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-15(3,10-18)17-13(19)9-16-14(20)12-7-5-11(2)6-8-12/h5-8,18H,4,9-10H2,1-3H3,(H,16,20)(H,17,19).
What are the key properties of N-[2-[(1-hydroxy-2-methylbutan-2-yl)amino]-2-oxoethyl]-4-methylbenzamide?
N-[2-[(1-hydroxy-2-methylbutan-2-yl)amino]-2-oxoethyl]-4-methylbenzamide has a molecular weight of 278.35 g/mol, XLogP of 1.00, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-hydroxy-2-methylbutan-2-yl)amino]-2-oxoethyl]-4-methylbenzamide is sourced from PubChem (CID 64557985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).