N-ethyl-N-[[4-[[ethyl(2-methylprop-2-enoyl)amino]methyl]cyclohexyl]methyl]-2-methylprop-2-enamide

C20H34N2O2 — CID 23534016

IUPACN-ethyl-N-[[4-[[ethyl(2-methylprop-2-enoyl)amino]methyl]cyclohexyl]methyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(CC)CC1CCC(CN(CC)C(=O)C(=C)C)CC1
InChIInChI=1S/C20H34N2O2/c1-7-21(19(23)15(3)4)13-17-9-11-18(12-10-17)14-22(8-2)20(24)16(5)6/h17-18H,3,5,7-14H2,1-2,4,6H3
InChIKeyCIJPNOMIYNAPDW-UHFFFAOYSA-N
MW334.50 g/mol
LogP3.64
Rot. Bonds8

About N-ethyl-N-[[4-[[ethyl(2-methylprop-2-enoyl)amino]methyl]cyclohexyl]methyl]-2-methylprop-2-enamide

N-ethyl-N-[[4-[[ethyl(2-methylprop-2-enoyl)amino]methyl]cyclohexyl]methyl]-2-methylprop-2-enamide (PubChem CID 23534016) has the molecular formula C20H34N2O2 and a molecular weight of 334.50 g/mol. Its IUPAC name is N-ethyl-N-[[4-[[ethyl(2-methylprop-2-enoyl)amino]methyl]cyclohexyl]methyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-ethyl-N-[[4-[[ethyl(2-methylprop-2-enoyl)amino]methyl]cyclohexyl]methyl]-2-methylprop-2-enamide
PubChem CID23534016
Molecular FormulaC20H34N2O2
Molecular Weight334.50 g/mol
Exact Mass334.26
IUPAC NameN-ethyl-N-[[4-[[ethyl(2-methylprop-2-enoyl)amino]methyl]cyclohexyl]methyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(CC)CC1CCC(CN(CC)C(=O)C(=C)C)CC1
InChIInChI=1S/C20H34N2O2/c1-7-21(19(23)15(3)4)13-17-9-11-18(12-10-17)14-22(8-2)20(24)16(5)6/h17-18H,3,5,7-14H2,1-2,4,6H3
InChIKeyCIJPNOMIYNAPDW-UHFFFAOYSA-N
XLogP3.64
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.50
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-N-[[4-[[ethyl(2-methylprop-2-enoyl)amino]methyl]cyclohexyl]methyl]-2-methylprop-2-enamide with MolForge

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Related Compounds

1,1-bis(cyclopropylmethyl)-3,3-diethylurea
CID 115629557
2-(azetidin-3-ylidene)-N-(cyclopropylmethyl)-N-ethylpropanamide
CID 116677977
3-[cyclopropylmethyl(ethyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82820640
N-(cyclopropylmethyl)-N-propylacetamide
CID 59001159
N-(cyclopropylmethyl)-N-ethyl-2-(methylamino)acetamide
CID 63954155
2-[cyclopropylmethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetic acid
CID 43656730
2-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylbutanamide
CID 114290733
4-[cyclopropylmethyl(ethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63955071
1-(cyclopropylmethyl)-1-ethyl-3-propylurea
CID 115622668
3-amino-N-(cyclopropylmethyl)-N-ethylbutanamide
CID 63954762
2-amino-N-(cyclobutylmethyl)-N-ethyl-2-methylpropanamide
CID 107398375
4-chloro-N-(cyclopropylmethyl)-N-ethylbutanamide
CID 63956164

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[4-[[ethyl(2-methylprop-2-enoyl)amino]methyl]cyclohexyl]methyl]-2-methylprop-2-enamide?
The IUPAC name of N-ethyl-N-[[4-[[ethyl(2-methylprop-2-enoyl)amino]methyl]cyclohexyl]methyl]-2-methylprop-2-enamide (CID 23534016) is N-ethyl-N-[[4-[[ethyl(2-methylprop-2-enoyl)amino]methyl]cyclohexyl]methyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-ethyl-N-[[4-[[ethyl(2-methylprop-2-enoyl)amino]methyl]cyclohexyl]methyl]-2-methylprop-2-enamide?
The canonical SMILES for N-ethyl-N-[[4-[[ethyl(2-methylprop-2-enoyl)amino]methyl]cyclohexyl]methyl]-2-methylprop-2-enamide is C=C(C)C(=O)N(CC)CC1CCC(CN(CC)C(=O)C(=C)C)CC1.
What is the InChIKey of N-ethyl-N-[[4-[[ethyl(2-methylprop-2-enoyl)amino]methyl]cyclohexyl]methyl]-2-methylprop-2-enamide?
The InChIKey is CIJPNOMIYNAPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O2/c1-7-21(19(23)15(3)4)13-17-9-11-18(12-10-17)14-22(8-2)20(24)16(5)6/h17-18H,3,5,7-14H2,1-2,4,6H3.
What are the key properties of N-ethyl-N-[[4-[[ethyl(2-methylprop-2-enoyl)amino]methyl]cyclohexyl]methyl]-2-methylprop-2-enamide?
N-ethyl-N-[[4-[[ethyl(2-methylprop-2-enoyl)amino]methyl]cyclohexyl]methyl]-2-methylprop-2-enamide has a molecular weight of 334.50 g/mol, XLogP of 3.64, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[4-[[ethyl(2-methylprop-2-enoyl)amino]methyl]cyclohexyl]methyl]-2-methylprop-2-enamide is sourced from PubChem (CID 23534016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).