N-ethyl-4-(2-methylbutan-2-yl)-N-(pyridin-4-ylmethyl)benzamide

C20H26N2O — CID 130315749

IUPACN-ethyl-4-(2-methylbutan-2-yl)-N-(pyridin-4-ylmethyl)benzamide
SMILESCCN(Cc1ccncc1)C(=O)c1ccc(C(C)(C)CC)cc1
InChIInChI=1S/C20H26N2O/c1-5-20(3,4)18-9-7-17(8-10-18)19(23)22(6-2)15-16-11-13-21-14-12-16/h7-14H,5-6,15H2,1-4H3
InChIKeyQOURJRFYPVLSQR-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.43
Rot. Bonds6

About N-ethyl-4-(2-methylbutan-2-yl)-N-(pyridin-4-ylmethyl)benzamide

N-ethyl-4-(2-methylbutan-2-yl)-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 130315749) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is N-ethyl-4-(2-methylbutan-2-yl)-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-ethyl-4-(2-methylbutan-2-yl)-N-(pyridin-4-ylmethyl)benzamide
PubChem CID130315749
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC NameN-ethyl-4-(2-methylbutan-2-yl)-N-(pyridin-4-ylmethyl)benzamide
SMILESCCN(Cc1ccncc1)C(=O)c1ccc(C(C)(C)CC)cc1
InChIInChI=1S/C20H26N2O/c1-5-20(3,4)18-9-7-17(8-10-18)19(23)22(6-2)15-16-11-13-21-14-12-16/h7-14H,5-6,15H2,1-4H3
InChIKeyQOURJRFYPVLSQR-UHFFFAOYSA-N
XLogP4.43
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3,4-dimethoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6470450
3-amino-4-bromo-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
CID 61114914
N-ethyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 62180545
(2S)-2-amino-N-ethyl-3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
CID 61162675
3-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
CID 54905832
N-ethyl-4-(2-methyltetrazol-5-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 77089637
N-hydroxy-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide
CID 54505317
2-(aminomethyl)-N-ethyl-2-methyl-N-(pyridin-4-ylmethyl)butanamide
CID 114290465
N-ethyl-N-(pyridin-4-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 91952867
3-ethoxy-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
CID 6466465
N-benzyl-N-ethylpyridine-3-carboxamide;hydrochloride
CID 110755487
2-[ethyl-[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62822188

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-methylbutan-2-yl)-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of N-ethyl-4-(2-methylbutan-2-yl)-N-(pyridin-4-ylmethyl)benzamide (CID 130315749) is N-ethyl-4-(2-methylbutan-2-yl)-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for N-ethyl-4-(2-methylbutan-2-yl)-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for N-ethyl-4-(2-methylbutan-2-yl)-N-(pyridin-4-ylmethyl)benzamide is CCN(Cc1ccncc1)C(=O)c1ccc(C(C)(C)CC)cc1.
What is the InChIKey of N-ethyl-4-(2-methylbutan-2-yl)-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is QOURJRFYPVLSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-5-20(3,4)18-9-7-17(8-10-18)19(23)22(6-2)15-16-11-13-21-14-12-16/h7-14H,5-6,15H2,1-4H3.
What are the key properties of N-ethyl-4-(2-methylbutan-2-yl)-N-(pyridin-4-ylmethyl)benzamide?
N-ethyl-4-(2-methylbutan-2-yl)-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 310.44 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-methylbutan-2-yl)-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 130315749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).