N-(1-amino-2,3-dimethylbutan-2-yl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide

C21H29N3O2 — CID 119608365

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
SMILESCc1cc(C(=O)NC(C)(CN)C(C)C)cc(C)c1OCc1cccnc1
InChIInChI=1S/C21H29N3O2/c1-14(2)21(5,13-22)24-20(25)18-9-15(3)19(16(4)10-18)26-12-17-7-6-8-23-11-17/h6-11,14H,12-13,22H2,1-5H3,(H,24,25)
InChIKeyYNFLMQGEXYPCJI-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.38
Rot. Bonds7

About N-(1-amino-2,3-dimethylbutan-2-yl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide

N-(1-amino-2,3-dimethylbutan-2-yl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide (PubChem CID 119608365) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
PubChem CID119608365
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
SMILESCc1cc(C(=O)NC(C)(CN)C(C)C)cc(C)c1OCc1cccnc1
InChIInChI=1S/C21H29N3O2/c1-14(2)21(5,13-22)24-20(25)18-9-15(3)19(16(4)10-18)26-12-17-7-6-8-23-11-17/h6-11,14H,12-13,22H2,1-5H3,(H,24,25)
InChIKeyYNFLMQGEXYPCJI-UHFFFAOYSA-N
XLogP3.38
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]-2-methylbutanoic acid
CID 120518519
N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 166187994
N'-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39716937
3,5-dimethyl-N-[2-(methylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 119503562
N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 119656225
N-[2-(aminomethyl)cyclopentyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide;dihydrochloride
CID 119604417
2-[[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]methyl]-4-methylpentanoic acid
CID 120528545
N-(3-hydroxy-4-pyridinyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 75370477
N'-(2-chlorobenzoyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzohydrazide
CID 55691668
3,5-dimethyl-N-[2-(pyrazin-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 47031577
3,5-dimethyl-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 55691089
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 55690776

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide (CID 119608365) is N-(1-amino-2,3-dimethylbutan-2-yl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide is Cc1cc(C(=O)NC(C)(CN)C(C)C)cc(C)c1OCc1cccnc1.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is YNFLMQGEXYPCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-14(2)21(5,13-22)24-20(25)18-9-15(3)19(16(4)10-18)26-12-17-7-6-8-23-11-17/h6-11,14H,12-13,22H2,1-5H3,(H,24,25).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 355.48 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 119608365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).