N-[(2-methylcyclohexyl)carbamoyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide

C22H34N4O3 — CID 46807610

IUPACN-[(2-methylcyclohexyl)carbamoyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
SMILESCC1CCCCC1NC(=O)NC(=O)CN1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C22H34N4O3/c1-18-7-5-6-10-20(18)23-22(28)24-21(27)17-26-13-11-25(12-14-26)15-16-29-19-8-3-2-4-9-19/h2-4,8-9,18,20H,5-7,10-17H2,1H3,(H2,23,24,27,28)
InChIKeyDTRWCTGJXMSWCL-UHFFFAOYSA-N
MW402.54 g/mol
LogP2.09
Rot. Bonds7

About N-[(2-methylcyclohexyl)carbamoyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide

N-[(2-methylcyclohexyl)carbamoyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide (PubChem CID 46807610) has the molecular formula C22H34N4O3 and a molecular weight of 402.54 g/mol. Its IUPAC name is N-[(2-methylcyclohexyl)carbamoyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-methylcyclohexyl)carbamoyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
PubChem CID46807610
Molecular FormulaC22H34N4O3
Molecular Weight402.54 g/mol
Exact Mass402.26
IUPAC NameN-[(2-methylcyclohexyl)carbamoyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
SMILESCC1CCCCC1NC(=O)NC(=O)CN1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C22H34N4O3/c1-18-7-5-6-10-20(18)23-22(28)24-21(27)17-26-13-11-25(12-14-26)15-16-29-19-8-3-2-4-9-19/h2-4,8-9,18,20H,5-7,10-17H2,1H3,(H2,23,24,27,28)
InChIKeyDTRWCTGJXMSWCL-UHFFFAOYSA-N
XLogP2.09
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methylcyclohexyl)carbamoyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 17450417
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(phenylcarbamoyl)acetamide
CID 55410705
N-(2-chlorophenyl)-2-[4-[2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30626941
[2-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 2-phenoxyacetate
CID 11920173
N-(4-methylcyclohexyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 39746892
N-benzyl-1-[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 27107463
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide
CID 120761771
2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide
CID 55353755
ethane;N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 142596800
2-(4-benzylpiperazin-1-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 8902763
2-[(8aS)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 97221018
2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 30618549

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylcyclohexyl)carbamoyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[(2-methylcyclohexyl)carbamoyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide (CID 46807610) is N-[(2-methylcyclohexyl)carbamoyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(2-methylcyclohexyl)carbamoyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[(2-methylcyclohexyl)carbamoyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide is CC1CCCCC1NC(=O)NC(=O)CN1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of N-[(2-methylcyclohexyl)carbamoyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide?
The InChIKey is DTRWCTGJXMSWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O3/c1-18-7-5-6-10-20(18)23-22(28)24-21(27)17-26-13-11-25(12-14-26)15-16-29-19-8-3-2-4-9-19/h2-4,8-9,18,20H,5-7,10-17H2,1H3,(H2,23,24,27,28).
What are the key properties of N-[(2-methylcyclohexyl)carbamoyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide?
N-[(2-methylcyclohexyl)carbamoyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide has a molecular weight of 402.54 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylcyclohexyl)carbamoyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 46807610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).