N-(dicyclohexylmethyl)-2-(2-oxopyrimidin-1-yl)acetamide

C19H29N3O2 — CID 138045003

IUPACN-(dicyclohexylmethyl)-2-(2-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cccnc1=O)NC(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H29N3O2/c23-17(14-22-13-7-12-20-19(22)24)21-18(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h7,12-13,15-16,18H,1-6,8-11,14H2,(H,21,23)
InChIKeyBNMJAJSUUNXISN-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.89
Rot. Bonds5

About N-(dicyclohexylmethyl)-2-(2-oxopyrimidin-1-yl)acetamide

N-(dicyclohexylmethyl)-2-(2-oxopyrimidin-1-yl)acetamide (PubChem CID 138045003) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-(dicyclohexylmethyl)-2-(2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(dicyclohexylmethyl)-2-(2-oxopyrimidin-1-yl)acetamide
PubChem CID138045003
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-(dicyclohexylmethyl)-2-(2-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cccnc1=O)NC(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H29N3O2/c23-17(14-22-13-7-12-20-19(22)24)21-18(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h7,12-13,15-16,18H,1-6,8-11,14H2,(H,21,23)
InChIKeyBNMJAJSUUNXISN-UHFFFAOYSA-N
XLogP2.89
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(dicyclohexylmethyl)-2-(2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(dicyclohexylmethyl)-2-(2-oxopyrimidin-1-yl)acetamide (CID 138045003) is N-(dicyclohexylmethyl)-2-(2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(dicyclohexylmethyl)-2-(2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(dicyclohexylmethyl)-2-(2-oxopyrimidin-1-yl)acetamide is O=C(Cn1cccnc1=O)NC(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N-(dicyclohexylmethyl)-2-(2-oxopyrimidin-1-yl)acetamide?
The InChIKey is BNMJAJSUUNXISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c23-17(14-22-13-7-12-20-19(22)24)21-18(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h7,12-13,15-16,18H,1-6,8-11,14H2,(H,21,23).
What are the key properties of N-(dicyclohexylmethyl)-2-(2-oxopyrimidin-1-yl)acetamide?
N-(dicyclohexylmethyl)-2-(2-oxopyrimidin-1-yl)acetamide has a molecular weight of 331.46 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclohexylmethyl)-2-(2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 138045003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).