1-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylcyclohexane-1-carboxamide

C12H23N3O3 — CID 114162134

IUPAC1-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylcyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)NCCOCC(N)=O)C1
InChIInChI=1S/C12H23N3O3/c1-9-3-2-4-12(14,7-9)11(17)15-5-6-18-8-10(13)16/h9H,2-8,14H2,1H3,(H2,13,16)(H,15,17)
InChIKeyIKZNWBWHNRKARU-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.49
Rot. Bonds6

About 1-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylcyclohexane-1-carboxamide

1-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylcyclohexane-1-carboxamide (PubChem CID 114162134) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylcyclohexane-1-carboxamide
PubChem CID114162134
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name1-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylcyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)NCCOCC(N)=O)C1
InChIInChI=1S/C12H23N3O3/c1-9-3-2-4-12(14,7-9)11(17)15-5-6-18-8-10(13)16/h9H,2-8,14H2,1H3,(H2,13,16)(H,15,17)
InChIKeyIKZNWBWHNRKARU-UHFFFAOYSA-N
XLogP-0.49
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-{1-[(2-methoxyethyl)amino]-3-methyl-1-oxobutan-2-yl}cyclohexanecarboxamide
CID 4191585
[2-(Tert-butylamino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 16306589
N-(2-methyl-2-morpholin-4-ylpropyl)cyclohexanecarboxamide
CID 45793937
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-cyclohexylacetamide
CID 71969315
1-amino-3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1-carboxamide
CID 64554240
1-(2-Methoxyethylamino)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 64759845
1-amino-N-[2-(2,2-difluoroethoxy)ethyl]-3-methylcyclohexane-1-carboxamide
CID 105910028
N-[1-({2-[(ethoxyacetyl)amino]ethyl}amino)-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexanecarboxamide
CID 16472984
N-(cyanomethyl)-3-cyclohexyl-2-[(2-ethoxyacetyl)amino]propanamide
CID 18421879
(2S)-2-amino-3-cyclohexyl-N-(2-methoxyethyl)propanamide hydrochloride
CID 69484822
(2R)-N-(cyanomethyl)-3-cyclohexyl-2-[(2-ethoxyacetyl)amino]propanamide
CID 87848952
1-amino-N-[(3S)-2-methoxy-4-methylpentan-3-yl]cyclohexane-1-carboxamide
CID 89792050

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylcyclohexane-1-carboxamide (CID 114162134) is 1-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylcyclohexane-1-carboxamide is CC1CCCC(N)(C(=O)NCCOCC(N)=O)C1.
What is the InChIKey of 1-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylcyclohexane-1-carboxamide?
The InChIKey is IKZNWBWHNRKARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-9-3-2-4-12(14,7-9)11(17)15-5-6-18-8-10(13)16/h9H,2-8,14H2,1H3,(H2,13,16)(H,15,17).
What are the key properties of 1-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylcyclohexane-1-carboxamide?
1-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylcyclohexane-1-carboxamide has a molecular weight of 257.33 g/mol, XLogP of -0.49, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 114162134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).