N-[(3R,4S)-1-cyclohexyl-4-propan-2-ylpyrrolidin-3-yl]-2-(2-oxopyrimidin-1-yl)acetamide

C19H30N4O2 — CID 72908953

IUPACN-[(3R,4S)-1-cyclohexyl-4-propan-2-ylpyrrolidin-3-yl]-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCC(C)[C@H]1CN(C2CCCCC2)C[C@@H]1NC(=O)Cn1cccnc1=O
InChIInChI=1S/C19H30N4O2/c1-14(2)16-11-23(15-7-4-3-5-8-15)12-17(16)21-18(24)13-22-10-6-9-20-19(22)25/h6,9-10,14-17H,3-5,7-8,11-13H2,1-2H3,(H,21,24)/t16-,17+/m1/s1
InChIKeyMMVWLIRBZSRKBN-SJORKVTESA-N
MW346.48 g/mol
LogP1.65
Rot. Bonds5

About N-[(3R,4S)-1-cyclohexyl-4-propan-2-ylpyrrolidin-3-yl]-2-(2-oxopyrimidin-1-yl)acetamide

N-[(3R,4S)-1-cyclohexyl-4-propan-2-ylpyrrolidin-3-yl]-2-(2-oxopyrimidin-1-yl)acetamide (PubChem CID 72908953) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-[(3R,4S)-1-cyclohexyl-4-propan-2-ylpyrrolidin-3-yl]-2-(2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-cyclohexyl-4-propan-2-ylpyrrolidin-3-yl]-2-(2-oxopyrimidin-1-yl)acetamide
PubChem CID72908953
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC NameN-[(3R,4S)-1-cyclohexyl-4-propan-2-ylpyrrolidin-3-yl]-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCC(C)[C@H]1CN(C2CCCCC2)C[C@@H]1NC(=O)Cn1cccnc1=O
InChIInChI=1S/C19H30N4O2/c1-14(2)16-11-23(15-7-4-3-5-8-15)12-17(16)21-18(24)13-22-10-6-9-20-19(22)25/h6,9-10,14-17H,3-5,7-8,11-13H2,1-2H3,(H,21,24)/t16-,17+/m1/s1
InChIKeyMMVWLIRBZSRKBN-SJORKVTESA-N
XLogP1.65
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-cyclohexyl-4-propan-2-ylpyrrolidin-3-yl]-2-(2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[(3R,4S)-1-cyclohexyl-4-propan-2-ylpyrrolidin-3-yl]-2-(2-oxopyrimidin-1-yl)acetamide (CID 72908953) is N-[(3R,4S)-1-cyclohexyl-4-propan-2-ylpyrrolidin-3-yl]-2-(2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[(3R,4S)-1-cyclohexyl-4-propan-2-ylpyrrolidin-3-yl]-2-(2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[(3R,4S)-1-cyclohexyl-4-propan-2-ylpyrrolidin-3-yl]-2-(2-oxopyrimidin-1-yl)acetamide is CC(C)[C@H]1CN(C2CCCCC2)C[C@@H]1NC(=O)Cn1cccnc1=O.
What is the InChIKey of N-[(3R,4S)-1-cyclohexyl-4-propan-2-ylpyrrolidin-3-yl]-2-(2-oxopyrimidin-1-yl)acetamide?
The InChIKey is MMVWLIRBZSRKBN-SJORKVTESA-N. The full InChI is InChI=1S/C19H30N4O2/c1-14(2)16-11-23(15-7-4-3-5-8-15)12-17(16)21-18(24)13-22-10-6-9-20-19(22)25/h6,9-10,14-17H,3-5,7-8,11-13H2,1-2H3,(H,21,24)/t16-,17+/m1/s1.
What are the key properties of N-[(3R,4S)-1-cyclohexyl-4-propan-2-ylpyrrolidin-3-yl]-2-(2-oxopyrimidin-1-yl)acetamide?
N-[(3R,4S)-1-cyclohexyl-4-propan-2-ylpyrrolidin-3-yl]-2-(2-oxopyrimidin-1-yl)acetamide has a molecular weight of 346.48 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-cyclohexyl-4-propan-2-ylpyrrolidin-3-yl]-2-(2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 72908953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).