2-(ethylamino)-N-(2-hydroxy-2,4-dimethylpentyl)benzamide

C16H26N2O2 — CID 66172270

IUPAC2-(ethylamino)-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
SMILESCCNc1ccccc1C(=O)NCC(C)(O)CC(C)C
InChIInChI=1S/C16H26N2O2/c1-5-17-14-9-7-6-8-13(14)15(19)18-11-16(4,20)10-12(2)3/h6-9,12,17,20H,5,10-11H2,1-4H3,(H,18,19)
InChIKeyBXNSCSUXHYHTMM-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.65
Rot. Bonds7

About 2-(ethylamino)-N-(2-hydroxy-2,4-dimethylpentyl)benzamide

2-(ethylamino)-N-(2-hydroxy-2,4-dimethylpentyl)benzamide (PubChem CID 66172270) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(ethylamino)-N-(2-hydroxy-2,4-dimethylpentyl)benzamide.

Molecular Properties

Compound Name2-(ethylamino)-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
PubChem CID66172270
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-(ethylamino)-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
SMILESCCNc1ccccc1C(=O)NCC(C)(O)CC(C)C
InChIInChI=1S/C16H26N2O2/c1-5-17-14-9-7-6-8-13(14)15(19)18-11-16(4,20)10-12(2)3/h6-9,12,17,20H,5,10-11H2,1-4H3,(H,18,19)
InChIKeyBXNSCSUXHYHTMM-UHFFFAOYSA-N
XLogP2.65
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-N-(2-hydroxy-2-methylbutyl)benzamide
CID 65109341
N-(2-hydroxy-2,4-dimethylpentyl)-2-iodobenzamide
CID 66178734
2-(cyanomethylsulfanyl)-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 66178952
2-(ethylamino)-N-(2-phenylpropyl)benzamide
CID 63107799
ethyl 2-[[2-(ethylamino)benzoyl]amino]acetate
CID 55177471
2-(ethylamino)-N-(2-propan-2-yloxyethyl)benzamide
CID 113450457
2-(ethylamino)-N-(2-methylpropoxy)benzamide
CID 82723063
2-(ethylamino)-N-(3-methoxy-2-methylpropyl)benzamide
CID 62175521
3-bromo-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 66179359
2-chloro-N-(2-hydroxy-2,4-dimethylpentyl)-2-phenylacetamide
CID 66173478
5-bromo-2-hydroxy-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 107729906
5-amino-2,4-difluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 66180643

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-(2-hydroxy-2,4-dimethylpentyl)benzamide?
The IUPAC name of 2-(ethylamino)-N-(2-hydroxy-2,4-dimethylpentyl)benzamide (CID 66172270) is 2-(ethylamino)-N-(2-hydroxy-2,4-dimethylpentyl)benzamide.
What is the SMILES notation for 2-(ethylamino)-N-(2-hydroxy-2,4-dimethylpentyl)benzamide?
The canonical SMILES for 2-(ethylamino)-N-(2-hydroxy-2,4-dimethylpentyl)benzamide is CCNc1ccccc1C(=O)NCC(C)(O)CC(C)C.
What is the InChIKey of 2-(ethylamino)-N-(2-hydroxy-2,4-dimethylpentyl)benzamide?
The InChIKey is BXNSCSUXHYHTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-17-14-9-7-6-8-13(14)15(19)18-11-16(4,20)10-12(2)3/h6-9,12,17,20H,5,10-11H2,1-4H3,(H,18,19).
What are the key properties of 2-(ethylamino)-N-(2-hydroxy-2,4-dimethylpentyl)benzamide?
2-(ethylamino)-N-(2-hydroxy-2,4-dimethylpentyl)benzamide has a molecular weight of 278.40 g/mol, XLogP of 2.65, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-(2-hydroxy-2,4-dimethylpentyl)benzamide is sourced from PubChem (CID 66172270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).