N-(3-hydroxy-2,2-dimethylpropyl)-4-(propanoylamino)benzamide

C15H22N2O3 — CID 110178584

IUPACN-(3-hydroxy-2,2-dimethylpropyl)-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)NCC(C)(C)CO)cc1
InChIInChI=1S/C15H22N2O3/c1-4-13(19)17-12-7-5-11(6-8-12)14(20)16-9-15(2,3)10-18/h5-8,18H,4,9-10H2,1-3H3,(H,16,20)(H,17,19)
InChIKeyCIZLFMGNHVDMBU-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.78
Rot. Bonds6

About N-(3-hydroxy-2,2-dimethylpropyl)-4-(propanoylamino)benzamide

N-(3-hydroxy-2,2-dimethylpropyl)-4-(propanoylamino)benzamide (PubChem CID 110178584) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylpropyl)-4-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylpropyl)-4-(propanoylamino)benzamide
PubChem CID110178584
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-(3-hydroxy-2,2-dimethylpropyl)-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)NCC(C)(C)CO)cc1
InChIInChI=1S/C15H22N2O3/c1-4-13(19)17-12-7-5-11(6-8-12)14(20)16-9-15(2,3)10-18/h5-8,18H,4,9-10H2,1-3H3,(H,16,20)(H,17,19)
InChIKeyCIZLFMGNHVDMBU-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(propanoylamino)-N-[2-(propanoylamino)ethyl]benzamide
CID 121062260
methyl 2-[[4-(propanoylamino)benzoyl]amino]acetate
CID 2985304
N-[2-[(4-tert-butylphenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide
CID 121063298
N-hexyl-4-(propanoylamino)benzamide
CID 17257310
4-[(3-amino-3-methylbutanoyl)amino]-N-ethylbenzamide
CID 64684848
4-(propanoylamino)-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 17257385
N-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide
CID 121063265
3,5-dibromo-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 113349822
N-(2,2-dimethylpentyl)-4-(methylamino)benzamide
CID 115161129
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7854460
N-[4-(2-chloroacetyl)phenyl]propanamide
CID 3429836
4-(propanoylamino)-N,N-di(propan-2-yl)benzamide
CID 110178310

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2-dimethylpropyl)-4-(propanoylamino)benzamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylpropyl)-4-(propanoylamino)benzamide (CID 110178584) is N-(3-hydroxy-2,2-dimethylpropyl)-4-(propanoylamino)benzamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylpropyl)-4-(propanoylamino)benzamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylpropyl)-4-(propanoylamino)benzamide is CCC(=O)Nc1ccc(C(=O)NCC(C)(C)CO)cc1.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylpropyl)-4-(propanoylamino)benzamide?
The InChIKey is CIZLFMGNHVDMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-13(19)17-12-7-5-11(6-8-12)14(20)16-9-15(2,3)10-18/h5-8,18H,4,9-10H2,1-3H3,(H,16,20)(H,17,19).
What are the key properties of N-(3-hydroxy-2,2-dimethylpropyl)-4-(propanoylamino)benzamide?
N-(3-hydroxy-2,2-dimethylpropyl)-4-(propanoylamino)benzamide has a molecular weight of 278.35 g/mol, XLogP of 1.78, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2-dimethylpropyl)-4-(propanoylamino)benzamide is sourced from PubChem (CID 110178584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).