[4-[[2-(butan-2-ylamino)acetyl]amino]cyclohexyl] 2-methylprop-2-enoate

C16H28N2O3 — CID 145388941

IUPAC[4-[[2-(butan-2-ylamino)acetyl]amino]cyclohexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCC(NC(=O)CNC(C)CC)CC1
InChIInChI=1S/C16H28N2O3/c1-5-12(4)17-10-15(19)18-13-6-8-14(9-7-13)21-16(20)11(2)3/h12-14,17H,2,5-10H2,1,3-4H3,(H,18,19)
InChIKeyFMZRBKAVROOIRQ-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.92
Rot. Bonds7

About [4-[[2-(butan-2-ylamino)acetyl]amino]cyclohexyl] 2-methylprop-2-enoate

[4-[[2-(butan-2-ylamino)acetyl]amino]cyclohexyl] 2-methylprop-2-enoate (PubChem CID 145388941) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is [4-[[2-(butan-2-ylamino)acetyl]amino]cyclohexyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-[[2-(butan-2-ylamino)acetyl]amino]cyclohexyl] 2-methylprop-2-enoate
PubChem CID145388941
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name[4-[[2-(butan-2-ylamino)acetyl]amino]cyclohexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCC(NC(=O)CNC(C)CC)CC1
InChIInChI=1S/C16H28N2O3/c1-5-12(4)17-10-15(19)18-13-6-8-14(9-7-13)21-16(20)11(2)3/h12-14,17H,2,5-10H2,1,3-4H3,(H,18,19)
InChIKeyFMZRBKAVROOIRQ-UHFFFAOYSA-N
XLogP1.92
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [4-[[2-(butan-2-ylamino)acetyl]amino]cyclohexyl] 2-methylprop-2-enoate with MolForge

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Related Compounds

2-(butan-2-ylamino)-N-(4-hydroxycyclohexyl)acetamide
CID 60852285
2-(butan-2-ylamino)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]acetamide
CID 60853761
(4-ethoxycyclohexyl) 2-methylprop-2-enoate
CID 147130930
2-(butan-2-ylamino)-N-(oxolan-3-yl)acetamide
CID 80713915
(4-ethylcyclohexyl) 2-methylprop-2-enoate
CID 22250722
2-(butan-2-ylamino)-N-(3,3-dimethylcyclopentyl)acetamide
CID 114546344
N-cyclopropyl-2-(hex-5-en-2-ylamino)acetamide
CID 104655408
3-[[2-(butan-2-ylamino)acetyl]amino]cyclohexane-1-carboxylic acid
CID 63043134
2-[[2-(cyclopentylamino)-2-oxoethyl]amino]-N-cyclopropylpropanamide
CID 113248238
2-(butan-2-ylamino)-N-(2-methylcyclopropyl)acetamide
CID 62398768
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N,N-diethylpropanamide
CID 43420346
2-(butan-2-ylamino)-N-(2,3-dihydro-1H-inden-2-yl)acetamide
CID 114007934

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(butan-2-ylamino)acetyl]amino]cyclohexyl] 2-methylprop-2-enoate?
The IUPAC name of [4-[[2-(butan-2-ylamino)acetyl]amino]cyclohexyl] 2-methylprop-2-enoate (CID 145388941) is [4-[[2-(butan-2-ylamino)acetyl]amino]cyclohexyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-[[2-(butan-2-ylamino)acetyl]amino]cyclohexyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-[[2-(butan-2-ylamino)acetyl]amino]cyclohexyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC1CCC(NC(=O)CNC(C)CC)CC1.
What is the InChIKey of [4-[[2-(butan-2-ylamino)acetyl]amino]cyclohexyl] 2-methylprop-2-enoate?
The InChIKey is FMZRBKAVROOIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-5-12(4)17-10-15(19)18-13-6-8-14(9-7-13)21-16(20)11(2)3/h12-14,17H,2,5-10H2,1,3-4H3,(H,18,19).
What are the key properties of [4-[[2-(butan-2-ylamino)acetyl]amino]cyclohexyl] 2-methylprop-2-enoate?
[4-[[2-(butan-2-ylamino)acetyl]amino]cyclohexyl] 2-methylprop-2-enoate has a molecular weight of 296.41 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(butan-2-ylamino)acetyl]amino]cyclohexyl] 2-methylprop-2-enoate is sourced from PubChem (CID 145388941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).