N-[[4-(ethylcarbamoyl)phenyl]methyl]-2,4-dihydroxy-N-methyl-5-propan-2-ylbenzamide

C21H26N2O4 — CID 130277802

IUPACN-[[4-(ethylcarbamoyl)phenyl]methyl]-2,4-dihydroxy-N-methyl-5-propan-2-ylbenzamide
SMILESCCNC(=O)c1ccc(CN(C)C(=O)c2cc(C(C)C)c(O)cc2O)cc1
InChIInChI=1S/C21H26N2O4/c1-5-22-20(26)15-8-6-14(7-9-15)12-23(4)21(27)17-10-16(13(2)3)18(24)11-19(17)25/h6-11,13,24-25H,5,12H2,1-4H3,(H,22,26)
InChIKeyQTKFJMRRWITWJT-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.24
Rot. Bonds6

About N-[[4-(ethylcarbamoyl)phenyl]methyl]-2,4-dihydroxy-N-methyl-5-propan-2-ylbenzamide

N-[[4-(ethylcarbamoyl)phenyl]methyl]-2,4-dihydroxy-N-methyl-5-propan-2-ylbenzamide (PubChem CID 130277802) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[[4-(ethylcarbamoyl)phenyl]methyl]-2,4-dihydroxy-N-methyl-5-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[[4-(ethylcarbamoyl)phenyl]methyl]-2,4-dihydroxy-N-methyl-5-propan-2-ylbenzamide
PubChem CID130277802
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-[[4-(ethylcarbamoyl)phenyl]methyl]-2,4-dihydroxy-N-methyl-5-propan-2-ylbenzamide
SMILESCCNC(=O)c1ccc(CN(C)C(=O)c2cc(C(C)C)c(O)cc2O)cc1
InChIInChI=1S/C21H26N2O4/c1-5-22-20(26)15-8-6-14(7-9-15)12-23(4)21(27)17-10-16(13(2)3)18(24)11-19(17)25/h6-11,13,24-25H,5,12H2,1-4H3,(H,22,26)
InChIKeyQTKFJMRRWITWJT-UHFFFAOYSA-N
XLogP3.24
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Labetalol
CID 3869
Onalespib
CID 11955716
(+)-Labetalol
CID 134044
5-adamantan-1-yl-N-(2,4-dihydroxybenzyl)-2,4-dimethoxybenzamide
CID 57328615
5-adamantan-1-yl-N-(2,4-dihydroxybenzyl)-2-hydroxy-4-methoxybenzamide
CID 57328616
Polyhydroxy benzamide derivative 4
CID 70681016
2,4-Dihydroxy-N-(2-hydroxyethyl)benzamide
CID 90408
4-(1,3-Dihydro-2h-Isoindol-2-Ylcarbonyl)-6-(1-Methylethyl)benzene-1,3-Diol
CID 11849171
4-{[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol
CID 25058141
Polyhydroxy benzamide derivative 1
CID 70681015
3-adamantan-1-yl-N-(2,4-dihydroxybenzyl)-4-methoxybenzamide
CID 70685217
2-Naphthalenecarboxamide, N-[2-(dimethylamino)ethyl]-3-hydroxy-
CID 3659429

Frequently Asked Questions

What is the IUPAC name of N-[[4-(ethylcarbamoyl)phenyl]methyl]-2,4-dihydroxy-N-methyl-5-propan-2-ylbenzamide?
The IUPAC name of N-[[4-(ethylcarbamoyl)phenyl]methyl]-2,4-dihydroxy-N-methyl-5-propan-2-ylbenzamide (CID 130277802) is N-[[4-(ethylcarbamoyl)phenyl]methyl]-2,4-dihydroxy-N-methyl-5-propan-2-ylbenzamide.
What is the SMILES notation for N-[[4-(ethylcarbamoyl)phenyl]methyl]-2,4-dihydroxy-N-methyl-5-propan-2-ylbenzamide?
The canonical SMILES for N-[[4-(ethylcarbamoyl)phenyl]methyl]-2,4-dihydroxy-N-methyl-5-propan-2-ylbenzamide is CCNC(=O)c1ccc(CN(C)C(=O)c2cc(C(C)C)c(O)cc2O)cc1.
What is the InChIKey of N-[[4-(ethylcarbamoyl)phenyl]methyl]-2,4-dihydroxy-N-methyl-5-propan-2-ylbenzamide?
The InChIKey is QTKFJMRRWITWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-5-22-20(26)15-8-6-14(7-9-15)12-23(4)21(27)17-10-16(13(2)3)18(24)11-19(17)25/h6-11,13,24-25H,5,12H2,1-4H3,(H,22,26).
What are the key properties of N-[[4-(ethylcarbamoyl)phenyl]methyl]-2,4-dihydroxy-N-methyl-5-propan-2-ylbenzamide?
N-[[4-(ethylcarbamoyl)phenyl]methyl]-2,4-dihydroxy-N-methyl-5-propan-2-ylbenzamide has a molecular weight of 370.45 g/mol, XLogP of 3.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(ethylcarbamoyl)phenyl]methyl]-2,4-dihydroxy-N-methyl-5-propan-2-ylbenzamide is sourced from PubChem (CID 130277802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).