N-[3-[[(2R)-butan-2-yl]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide

C21H26N2O5 — CID 42427639

IUPACN-[3-[[(2R)-butan-2-yl]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
SMILESCC[C@@H](C)NC(=O)c1cccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1
InChIInChI=1S/C21H26N2O5/c1-6-13(2)22-20(24)14-8-7-9-16(10-14)23-21(25)15-11-17(26-3)19(28-5)18(12-15)27-4/h7-13H,6H2,1-5H3,(H,22,24)(H,23,25)/t13-/m1/s1
InChIKeyZYKODXBLBLWLGR-CYBMUJFWSA-N
MW386.45 g/mol
LogP3.49
Rot. Bonds8

About N-[3-[[(2R)-butan-2-yl]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide

N-[3-[[(2R)-butan-2-yl]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide (PubChem CID 42427639) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-[3-[[(2R)-butan-2-yl]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[3-[[(2R)-butan-2-yl]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
PubChem CID42427639
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC NameN-[3-[[(2R)-butan-2-yl]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
SMILESCC[C@@H](C)NC(=O)c1cccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1
InChIInChI=1S/C21H26N2O5/c1-6-13(2)22-20(24)14-8-7-9-16(10-14)23-21(25)15-11-17(26-3)19(28-5)18(12-15)27-4/h7-13H,6H2,1-5H3,(H,22,24)(H,23,25)/t13-/m1/s1
InChIKeyZYKODXBLBLWLGR-CYBMUJFWSA-N
XLogP3.49
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
N-[3-(butan-2-ylcarbamoyl)phenyl]-3,5-dichlorobenzamide
CID 17198935
methyl 3-[[4-(butan-2-ylcarbamoyl)benzoyl]amino]benzoate
CID 109044159
N-[(2R)-butan-2-yl]-3-[(3-chlorobenzoyl)amino]benzamide
CID 42427435
N-[(2S)-butan-2-yl]-3-[(4-methylbenzoyl)amino]benzamide
CID 42427411
1-N-(3-acetylphenyl)-4-N-butan-2-ylbenzene-1,4-dicarboxamide
CID 109044154
N-[3-(butan-2-ylcarbamoyl)phenyl]-2-ethoxybenzamide
CID 17198857
3,4,5-trimethoxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154687
3,4,5-trimethoxy-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126231092
3-methyl-N-[3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126229364
3-bromo-N-[[3-(butan-2-ylcarbamoyl)phenyl]carbamothioyl]-4-methoxybenzamide
CID 17199186
4-chloro-N-[3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126231777

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2R)-butan-2-yl]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[3-[[(2R)-butan-2-yl]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide (CID 42427639) is N-[3-[[(2R)-butan-2-yl]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[3-[[(2R)-butan-2-yl]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[3-[[(2R)-butan-2-yl]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide is CC[C@@H](C)NC(=O)c1cccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1.
What is the InChIKey of N-[3-[[(2R)-butan-2-yl]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide?
The InChIKey is ZYKODXBLBLWLGR-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-6-13(2)22-20(24)14-8-7-9-16(10-14)23-21(25)15-11-17(26-3)19(28-5)18(12-15)27-4/h7-13H,6H2,1-5H3,(H,22,24)(H,23,25)/t13-/m1/s1.
What are the key properties of N-[3-[[(2R)-butan-2-yl]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide?
N-[3-[[(2R)-butan-2-yl]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide has a molecular weight of 386.45 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2R)-butan-2-yl]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 42427639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).