N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3,3-diphenylpropanamide

C26H29N3O2 — CID 121120312

IUPACN-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3,3-diphenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)NCCn1cnc(C2CCCC2)cc1=O
InChIInChI=1S/C26H29N3O2/c30-25(17-23(20-9-3-1-4-10-20)21-11-5-2-6-12-21)27-15-16-29-19-28-24(18-26(29)31)22-13-7-8-14-22/h1-6,9-12,18-19,22-23H,7-8,13-17H2,(H,27,30)
InChIKeyDUSGPNXYYPSSIP-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.24
Rot. Bonds8

About N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3,3-diphenylpropanamide

N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3,3-diphenylpropanamide (PubChem CID 121120312) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3,3-diphenylpropanamide
PubChem CID121120312
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC NameN-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3,3-diphenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)NCCn1cnc(C2CCCC2)cc1=O
InChIInChI=1S/C26H29N3O2/c30-25(17-23(20-9-3-1-4-10-20)21-11-5-2-6-12-21)27-15-16-29-19-28-24(18-26(29)31)22-13-7-8-14-22/h1-6,9-12,18-19,22-23H,7-8,13-17H2,(H,27,30)
InChIKeyDUSGPNXYYPSSIP-UHFFFAOYSA-N
XLogP4.24
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2,2-diphenylacetamide
CID 121120062
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 121120501
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 121120234
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 121120412
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-nitrophenyl)acetamide
CID 121120319
1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methylphenyl)urea
CID 121120589
1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(naphthalen-1-ylmethyl)urea
CID 121120599
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 121120406
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-1-benzofuran-2-carboxamide
CID 121120373
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3,4-dimethylbenzamide
CID 71795178
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-indol-1-ylacetamide
CID 121120020
1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methoxyphenyl)urea
CID 121120574

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3,3-diphenylpropanamide?
The IUPAC name of N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3,3-diphenylpropanamide (CID 121120312) is N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3,3-diphenylpropanamide.
What is the SMILES notation for N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3,3-diphenylpropanamide?
The canonical SMILES for N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3,3-diphenylpropanamide is O=C(CC(c1ccccc1)c1ccccc1)NCCn1cnc(C2CCCC2)cc1=O.
What is the InChIKey of N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3,3-diphenylpropanamide?
The InChIKey is DUSGPNXYYPSSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c30-25(17-23(20-9-3-1-4-10-20)21-11-5-2-6-12-21)27-15-16-29-19-28-24(18-26(29)31)22-13-7-8-14-22/h1-6,9-12,18-19,22-23H,7-8,13-17H2,(H,27,30).
What are the key properties of N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3,3-diphenylpropanamide?
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3,3-diphenylpropanamide has a molecular weight of 415.54 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3,3-diphenylpropanamide is sourced from PubChem (CID 121120312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).