N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide

C21H29N3O2 — CID 119656225

IUPACN-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide
SMILESCc1cc(C(=O)N(C)CC(C)(C)CN)cc(C)c1OCc1cccnc1
InChIInChI=1S/C21H29N3O2/c1-15-9-18(20(25)24(5)14-21(3,4)13-22)10-16(2)19(15)26-12-17-7-6-8-23-11-17/h6-11H,12-14,22H2,1-5H3
InChIKeyRLJHUERNYKKXMY-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.33
Rot. Bonds7

About N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide

N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide (PubChem CID 119656225) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide
PubChem CID119656225
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide
SMILESCc1cc(C(=O)N(C)CC(C)(C)CN)cc(C)c1OCc1cccnc1
InChIInChI=1S/C21H29N3O2/c1-15-9-18(20(25)24(5)14-21(3,4)13-22)10-16(2)19(15)26-12-17-7-6-8-23-11-17/h6-11H,12-14,22H2,1-5H3
InChIKeyRLJHUERNYKKXMY-UHFFFAOYSA-N
XLogP3.33
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]-methylamino]-2-methylpropanoic acid
CID 120524284
N-(1-amino-2,3-dimethylbutan-2-yl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 119608365
N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 166187994
N-[2-(2-bromoanilino)-2-oxoethyl]-N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 55758114
N'-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39716937
N-(1-cyanocyclobutyl)-N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 51094657
N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 124613865
3,5-dimethyl-N-[2-(methylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 119503562
3,5-dimethyl-4-(pyridin-3-ylmethoxy)aniline
CID 63690803
N-[3-[4-(dimethylamino)phenyl]propyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 46453709
3,5-dimethyl-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 55691089
2-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]-2-methylbutanoic acid
CID 120518519

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide (CID 119656225) is N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide is Cc1cc(C(=O)N(C)CC(C)(C)CN)cc(C)c1OCc1cccnc1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is RLJHUERNYKKXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-15-9-18(20(25)24(5)14-21(3,4)13-22)10-16(2)19(15)26-12-17-7-6-8-23-11-17/h6-11H,12-14,22H2,1-5H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide?
N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 355.48 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 119656225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).