N-(5-ethylpyrimidin-2-yl)-3,3-dimethyl-N-nonan-5-ylbutanamide

C21H37N3O — CID 18735655

IUPACN-(5-ethylpyrimidin-2-yl)-3,3-dimethyl-N-nonan-5-ylbutanamide
SMILESCCCCC(CCCC)N(C(=O)CC(C)(C)C)c1ncc(CC)cn1
InChIInChI=1S/C21H37N3O/c1-7-10-12-18(13-11-8-2)24(19(25)14-21(4,5)6)20-22-15-17(9-3)16-23-20/h15-16,18H,7-14H2,1-6H3
InChIKeyVTRPCAQECMSBHH-UHFFFAOYSA-N
MW347.55 g/mol
LogP5.56
Rot. Bonds10

About N-(5-ethylpyrimidin-2-yl)-3,3-dimethyl-N-nonan-5-ylbutanamide

N-(5-ethylpyrimidin-2-yl)-3,3-dimethyl-N-nonan-5-ylbutanamide (PubChem CID 18735655) has the molecular formula C21H37N3O and a molecular weight of 347.55 g/mol. Its IUPAC name is N-(5-ethylpyrimidin-2-yl)-3,3-dimethyl-N-nonan-5-ylbutanamide.

Molecular Properties

Compound NameN-(5-ethylpyrimidin-2-yl)-3,3-dimethyl-N-nonan-5-ylbutanamide
PubChem CID18735655
Molecular FormulaC21H37N3O
Molecular Weight347.55 g/mol
Exact Mass347.29
IUPAC NameN-(5-ethylpyrimidin-2-yl)-3,3-dimethyl-N-nonan-5-ylbutanamide
SMILESCCCCC(CCCC)N(C(=O)CC(C)(C)C)c1ncc(CC)cn1
InChIInChI=1S/C21H37N3O/c1-7-10-12-18(13-11-8-2)24(19(25)14-21(4,5)6)20-22-15-17(9-3)16-23-20/h15-16,18H,7-14H2,1-6H3
InChIKeyVTRPCAQECMSBHH-UHFFFAOYSA-N
XLogP5.56
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.55
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethylpyrimidin-2-yl)-3,3-dimethyl-N-nonan-5-ylbutanamide?
The IUPAC name of N-(5-ethylpyrimidin-2-yl)-3,3-dimethyl-N-nonan-5-ylbutanamide (CID 18735655) is N-(5-ethylpyrimidin-2-yl)-3,3-dimethyl-N-nonan-5-ylbutanamide.
What is the SMILES notation for N-(5-ethylpyrimidin-2-yl)-3,3-dimethyl-N-nonan-5-ylbutanamide?
The canonical SMILES for N-(5-ethylpyrimidin-2-yl)-3,3-dimethyl-N-nonan-5-ylbutanamide is CCCCC(CCCC)N(C(=O)CC(C)(C)C)c1ncc(CC)cn1.
What is the InChIKey of N-(5-ethylpyrimidin-2-yl)-3,3-dimethyl-N-nonan-5-ylbutanamide?
The InChIKey is VTRPCAQECMSBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N3O/c1-7-10-12-18(13-11-8-2)24(19(25)14-21(4,5)6)20-22-15-17(9-3)16-23-20/h15-16,18H,7-14H2,1-6H3.
What are the key properties of N-(5-ethylpyrimidin-2-yl)-3,3-dimethyl-N-nonan-5-ylbutanamide?
N-(5-ethylpyrimidin-2-yl)-3,3-dimethyl-N-nonan-5-ylbutanamide has a molecular weight of 347.55 g/mol, XLogP of 5.56, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylpyrimidin-2-yl)-3,3-dimethyl-N-nonan-5-ylbutanamide is sourced from PubChem (CID 18735655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).