N-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide

C18H26N4O4 — CID 95719822

IUPACN-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@H]1CC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C18H26N4O4/c1-11-14(17(25)21-18(26)19-11)9-15(23)20-12-8-16(24)22(10-12)13-6-4-2-3-5-7-13/h12-13H,2-10H2,1H3,(H,20,23)(H2,19,21,25,26)/t12-/m0/s1
InChIKeyVRDDAIQGEZOQFZ-LBPRGKRZSA-N
MW362.43 g/mol
LogP0.35
Rot. Bonds4

About N-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide

N-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 95719822) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
PubChem CID95719822
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC NameN-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@H]1CC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C18H26N4O4/c1-11-14(17(25)21-18(26)19-11)9-15(23)20-12-8-16(24)22(10-12)13-6-4-2-3-5-7-13/h12-13H,2-10H2,1H3,(H,20,23)(H2,19,21,25,26)/t12-/m0/s1
InChIKeyVRDDAIQGEZOQFZ-LBPRGKRZSA-N
XLogP0.35
TPSA115.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide (CID 95719822) is N-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide is Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@H]1CC(=O)N(C2CCCCCC2)C1.
What is the InChIKey of N-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is VRDDAIQGEZOQFZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-11-14(17(25)21-18(26)19-11)9-15(23)20-12-8-16(24)22(10-12)13-6-4-2-3-5-7-13/h12-13H,2-10H2,1H3,(H,20,23)(H2,19,21,25,26)/t12-/m0/s1.
What are the key properties of N-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
N-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 362.43 g/mol, XLogP of 0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 95719822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).