N'-cycloheptyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]butanediamide

C19H30N4O3 — CID 46995237

IUPACN'-cycloheptyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]butanediamide
SMILESCc1cc(C)n(CCNC(=O)CCC(=O)NC2CCCCCC2)c(=O)n1
InChIInChI=1S/C19H30N4O3/c1-14-13-15(2)23(19(26)21-14)12-11-20-17(24)9-10-18(25)22-16-7-5-3-4-6-8-16/h13,16H,3-12H2,1-2H3,(H,20,24)(H,22,25)
InChIKeyVRVMDSGDFQYFHU-UHFFFAOYSA-N
MW362.47 g/mol
LogP1.60
Rot. Bonds7

About N'-cycloheptyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]butanediamide

N'-cycloheptyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]butanediamide (PubChem CID 46995237) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is N'-cycloheptyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]butanediamide.

Molecular Properties

Compound NameN'-cycloheptyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]butanediamide
PubChem CID46995237
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC NameN'-cycloheptyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]butanediamide
SMILESCc1cc(C)n(CCNC(=O)CCC(=O)NC2CCCCCC2)c(=O)n1
InChIInChI=1S/C19H30N4O3/c1-14-13-15(2)23(19(26)21-14)12-11-20-17(24)9-10-18(25)22-16-7-5-3-4-6-8-16/h13,16H,3-12H2,1-2H3,(H,20,24)(H,22,25)
InChIKeyVRVMDSGDFQYFHU-UHFFFAOYSA-N
XLogP1.60
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N'-cycloheptyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]butanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-6-isobutyl-2-oxo-1,2-dihydropyrimidine-4-carboxamide
CID 56901883
N-cyclohexyl-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide
CID 46304534
N-[2-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)ethyl]-1-isopropylpiperidine-4-carboxamide
CID 50956693
N-cyclohexyl-2-{[2-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)ethyl]amino}butanamide
CID 50980300
1-[2-(Cycloheptylamino)ethyl]-4,6-dimethylpyrimidin-2-one
CID 62564667
N-[2-(4,6-dimethyl-2-oxo-1(2H)-pyrimidinyl)ethyl]-1-methyl-2-azepanecarboxamide
CID 72900625
6-tert-butyl-N-[(1-methylpiperidin-2-yl)methyl]-2-oxo-2,3-dihydropyrimidine-4-carboxamide
CID 86286362
(2S)-N-cyclohexyl-2-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylamino]butanamide
CID 95143646
(2R)-N-cyclohexyl-2-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylamino]butanamide
CID 95143647
N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
CID 95715635
N-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
CID 95715636
(2S)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-methylazepane-2-carboxamide
CID 97201144

Frequently Asked Questions

What is the IUPAC name of N'-cycloheptyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]butanediamide?
The IUPAC name of N'-cycloheptyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]butanediamide (CID 46995237) is N'-cycloheptyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]butanediamide.
What is the SMILES notation for N'-cycloheptyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]butanediamide?
The canonical SMILES for N'-cycloheptyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]butanediamide is Cc1cc(C)n(CCNC(=O)CCC(=O)NC2CCCCCC2)c(=O)n1.
What is the InChIKey of N'-cycloheptyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]butanediamide?
The InChIKey is VRVMDSGDFQYFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-14-13-15(2)23(19(26)21-14)12-11-20-17(24)9-10-18(25)22-16-7-5-3-4-6-8-16/h13,16H,3-12H2,1-2H3,(H,20,24)(H,22,25).
What are the key properties of N'-cycloheptyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]butanediamide?
N'-cycloheptyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]butanediamide has a molecular weight of 362.47 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cycloheptyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]butanediamide is sourced from PubChem (CID 46995237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).