N-[2-[(4-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide

C18H28N2O3 — CID 111480499

IUPACN-[2-[(4-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCC(=O)NCC(C)(C)CC(C)O)c1
InChIInChI=1S/C18H28N2O3/c1-12-6-13(2)8-15(7-12)17(23)19-10-16(22)20-11-18(4,5)9-14(3)21/h6-8,14,21H,9-11H2,1-5H3,(H,19,23)(H,20,22)
InChIKeyFCIRFYMCIKAEEP-UHFFFAOYSA-N
MW320.43 g/mol
LogP1.95
Rot. Bonds7

About N-[2-[(4-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide

N-[2-[(4-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide (PubChem CID 111480499) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-[2-[(4-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[(4-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide
PubChem CID111480499
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-[2-[(4-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCC(=O)NCC(C)(C)CC(C)O)c1
InChIInChI=1S/C18H28N2O3/c1-12-6-13(2)8-15(7-12)17(23)19-10-16(22)20-11-18(4,5)9-14(3)21/h6-8,14,21H,9-11H2,1-5H3,(H,19,23)(H,20,22)
InChIKeyFCIRFYMCIKAEEP-UHFFFAOYSA-N
XLogP1.95
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxy-2,2-dimethylpentyl)-3-methyl-5-nitrobenzamide
CID 111479800
N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 26456891
N-(4-methoxy-2,2-dimethylbutyl)-3,5-dimethylbenzamide
CID 122141755
N-(3-bromo-2,2-dimethylpropyl)-3,5-dimethylbenzamide
CID 115364940
3,5-dimethyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 27256307
4-N-(4-hydroxy-2,2-dimethylpentyl)benzene-1,4-dicarboxamide
CID 111520130
ethyl 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 46544273
N-[2-(butylamino)-2-oxoethyl]-3,5-dimethylbenzamide
CID 34231217
N-(4-hydroxy-2,2-dimethylpentyl)-4-phenylbenzamide
CID 111480227
N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119803026
N-[4-[(4-hydroxy-2,2-dimethylpentyl)amino]-4-oxobutan-2-yl]benzamide
CID 111480028
3,5-dimethyl-N-[2-oxo-2-[[4-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide
CID 60516567

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[2-[(4-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide (CID 111480499) is N-[2-[(4-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[2-[(4-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[2-[(4-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)NCC(=O)NCC(C)(C)CC(C)O)c1.
What is the InChIKey of N-[2-[(4-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide?
The InChIKey is FCIRFYMCIKAEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-12-6-13(2)8-15(7-12)17(23)19-10-16(22)20-11-18(4,5)9-14(3)21/h6-8,14,21H,9-11H2,1-5H3,(H,19,23)(H,20,22).
What are the key properties of N-[2-[(4-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide?
N-[2-[(4-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide has a molecular weight of 320.43 g/mol, XLogP of 1.95, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 111480499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).