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

C18H26N4O4 — CID 56905935

IUPACN-(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)NC1CC(=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)
InChIKeyVRDDAIQGEZOQFZ-UHFFFAOYSA-N
MW362.43 g/mol
LogP0.35
Rot. Bonds4

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

N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 56905935) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
PubChem CID56905935
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC NameN-(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)NC1CC(=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)
InChIKeyVRDDAIQGEZOQFZ-UHFFFAOYSA-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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Related Compounds

N-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 95719822
6-methyl-5-(2-oxo-2-{2-[2-(1-pyrrolidinyl)ethyl]-1-piperidinyl}ethyl)-2,4(1H,3H)-pyrimidinedione
CID 70772941
N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 56703557
(2S,4S)-4-amino-N,N-diethyl-1-[(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetyl]pyrrolidine-2-carboxamide
CID 56716372
N-(1-cycloheptyl-3-piperidinyl)-2-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)acetamide
CID 56887264
N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetamide
CID 56902330
5-[2-(4-cyclohexyl-1,4-diazepan-1-yl)-2-oxoethyl]-6-methyl-2,4(1H,3H)-pyrimidinedione
CID 70737842
6-methyl-5-(2-oxo-2-{2-[2-(2-oxo-1-pyrrolidinyl)ethyl]-1-piperidinyl}ethyl)-2,4(1H,3H)-pyrimidinedione
CID 70782881
2-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide
CID 77091036
N-[(1-isopropyl-5-oxopyrrolidin-3-yl)methyl]-2-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetamide
CID 90649121
(4R)-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 95193941
(4S)-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 95193942

Frequently Asked Questions

What is the IUPAC name of N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide (CID 56905935) is N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-(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)NC1CC(=O)N(C2CCCCCC2)C1.
What is the InChIKey of N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is VRDDAIQGEZOQFZ-UHFFFAOYSA-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).
What are the key properties of N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
N-(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-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 56905935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).