N-(4-ethylcyclohexyl)-N-methyl-2-(prop-2-enylamino)acetamide

C14H26N2O — CID 79278136

IUPACN-(4-ethylcyclohexyl)-N-methyl-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)N(C)C1CCC(CC)CC1
InChIInChI=1S/C14H26N2O/c1-4-10-15-11-14(17)16(3)13-8-6-12(5-2)7-9-13/h4,12-13,15H,1,5-11H2,2-3H3
InChIKeySHGFUMUVOHGFQP-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.19
Rot. Bonds6

About N-(4-ethylcyclohexyl)-N-methyl-2-(prop-2-enylamino)acetamide

N-(4-ethylcyclohexyl)-N-methyl-2-(prop-2-enylamino)acetamide (PubChem CID 79278136) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-(4-ethylcyclohexyl)-N-methyl-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-(4-ethylcyclohexyl)-N-methyl-2-(prop-2-enylamino)acetamide
PubChem CID79278136
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-(4-ethylcyclohexyl)-N-methyl-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)N(C)C1CCC(CC)CC1
InChIInChI=1S/C14H26N2O/c1-4-10-15-11-14(17)16(3)13-8-6-12(5-2)7-9-13/h4,12-13,15H,1,5-11H2,2-3H3
InChIKeySHGFUMUVOHGFQP-UHFFFAOYSA-N
XLogP2.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(oxolan-3-yl)-2-(prop-2-enylamino)acetamide
CID 82737943
N-[(4-ethylcyclohexyl)methyl]prop-2-en-1-amine
CID 62139739
N,N-bis(cyclopropylmethyl)-2-(prop-2-enylamino)acetamide
CID 79277849
N-cyclopropyl-N-methyl-2-[(4-methylcyclohexyl)methylamino]acetamide
CID 55173315
4-[(4-ethylcyclohexyl)-methylamino]-4-oxobutanoic acid
CID 54907859
3-amino-N-(4-ethylcyclohexyl)-N-methylpropanamide
CID 61028395
2-[(4-ethylcyclohexyl)methylamino]-N,N-dimethylacetamide
CID 60971732
2-(cyclopropylmethylamino)-N-methyl-N-(4-methylcyclohexyl)acetamide;hydrochloride
CID 119689921
1-(4-ethylcyclohexyl)-1-methylurea
CID 61449062
N,N-diethyl-2-(prop-2-enylamino)acetamide
CID 28563292
N-cyclopropyl-2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-methylacetamide
CID 62976669
N-butan-2-yl-N-methyl-2-(prop-2-enylamino)acetamide
CID 79286394

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcyclohexyl)-N-methyl-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-(4-ethylcyclohexyl)-N-methyl-2-(prop-2-enylamino)acetamide (CID 79278136) is N-(4-ethylcyclohexyl)-N-methyl-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-(4-ethylcyclohexyl)-N-methyl-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-(4-ethylcyclohexyl)-N-methyl-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)N(C)C1CCC(CC)CC1.
What is the InChIKey of N-(4-ethylcyclohexyl)-N-methyl-2-(prop-2-enylamino)acetamide?
The InChIKey is SHGFUMUVOHGFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-4-10-15-11-14(17)16(3)13-8-6-12(5-2)7-9-13/h4,12-13,15H,1,5-11H2,2-3H3.
What are the key properties of N-(4-ethylcyclohexyl)-N-methyl-2-(prop-2-enylamino)acetamide?
N-(4-ethylcyclohexyl)-N-methyl-2-(prop-2-enylamino)acetamide has a molecular weight of 238.37 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcyclohexyl)-N-methyl-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 79278136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).