N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-2,4-dihydroxybenzamide

C17H26N2O3 — CID 139719646

IUPACN-[2-[1-(dimethylamino)cyclohexyl]ethyl]-2,4-dihydroxybenzamide
SMILESCN(C)C1(CCNC(=O)c2ccc(O)cc2O)CCCCC1
InChIInChI=1S/C17H26N2O3/c1-19(2)17(8-4-3-5-9-17)10-11-18-16(22)14-7-6-13(20)12-15(14)21/h6-7,12,20-21H,3-5,8-11H2,1-2H3,(H,18,22)
InChIKeyABJOKOKRBBMFJA-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.48
Rot. Bonds5

About N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-2,4-dihydroxybenzamide

N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-2,4-dihydroxybenzamide (PubChem CID 139719646) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-2,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-[2-[1-(dimethylamino)cyclohexyl]ethyl]-2,4-dihydroxybenzamide
PubChem CID139719646
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-[2-[1-(dimethylamino)cyclohexyl]ethyl]-2,4-dihydroxybenzamide
SMILESCN(C)C1(CCNC(=O)c2ccc(O)cc2O)CCCCC1
InChIInChI=1S/C17H26N2O3/c1-19(2)17(8-4-3-5-9-17)10-11-18-16(22)14-7-6-13(20)12-15(14)21/h6-7,12,20-21H,3-5,8-11H2,1-2H3,(H,18,22)
InChIKeyABJOKOKRBBMFJA-UHFFFAOYSA-N
XLogP2.48
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-hydroxybenzamide
CID 106502082
4-amino-5-chloro-N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-1-benzofuran-7-carboxamide
CID 139719699
2,4-dihydroxy-N-[(1-methoxycyclobutyl)methyl]benzamide
CID 103993294
N-[1-(aminomethyl)cyclohexyl]-2,4-dihydroxybenzamide
CID 107726341
2,4-dihydroxy-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
CID 103742421
2,4-dihydroxy-N-(3-iodopropyl)benzamide
CID 107726207
N-[[1-(2-amino-2-oxoethyl)cyclopropyl]methyl]-2,4-dihydroxybenzamide
CID 155951860
2,4-dihydroxy-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793797
2,4-dihydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 103759085
4-[(2,4-dihydroxybenzoyl)amino]butanoic acid
CID 16796144
4-amino-5-chloro-N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 139719681
2,4-dihydroxy-N-(2-phenylethyl)benzamide
CID 103600168

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-2,4-dihydroxybenzamide?
The IUPAC name of N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-2,4-dihydroxybenzamide (CID 139719646) is N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-2,4-dihydroxybenzamide.
What is the SMILES notation for N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-2,4-dihydroxybenzamide?
The canonical SMILES for N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-2,4-dihydroxybenzamide is CN(C)C1(CCNC(=O)c2ccc(O)cc2O)CCCCC1.
What is the InChIKey of N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-2,4-dihydroxybenzamide?
The InChIKey is ABJOKOKRBBMFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-19(2)17(8-4-3-5-9-17)10-11-18-16(22)14-7-6-13(20)12-15(14)21/h6-7,12,20-21H,3-5,8-11H2,1-2H3,(H,18,22).
What are the key properties of N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-2,4-dihydroxybenzamide?
N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-2,4-dihydroxybenzamide has a molecular weight of 306.41 g/mol, XLogP of 2.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-2,4-dihydroxybenzamide is sourced from PubChem (CID 139719646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).