2-[[2-(4-aminocyclohexyl)acetyl]amino]ethyl carbamate

C11H21N3O3 — CID 83215436

IUPAC2-[[2-(4-aminocyclohexyl)acetyl]amino]ethyl carbamate
SMILESNC(=O)OCCNC(=O)CC1CCC(N)CC1
InChIInChI=1S/C11H21N3O3/c12-9-3-1-8(2-4-9)7-10(15)14-5-6-17-11(13)16/h8-9H,1-7,12H2,(H2,13,16)(H,14,15)
InChIKeyFUPWIGMJSZDSCG-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.11
Rot. Bonds5

About 2-[[2-(4-aminocyclohexyl)acetyl]amino]ethyl carbamate

2-[[2-(4-aminocyclohexyl)acetyl]amino]ethyl carbamate (PubChem CID 83215436) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[[2-(4-aminocyclohexyl)acetyl]amino]ethyl carbamate.

Molecular Properties

Compound Name2-[[2-(4-aminocyclohexyl)acetyl]amino]ethyl carbamate
PubChem CID83215436
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name2-[[2-(4-aminocyclohexyl)acetyl]amino]ethyl carbamate
SMILESNC(=O)OCCNC(=O)CC1CCC(N)CC1
InChIInChI=1S/C11H21N3O3/c12-9-3-1-8(2-4-9)7-10(15)14-5-6-17-11(13)16/h8-9H,1-7,12H2,(H2,13,16)(H,14,15)
InChIKeyFUPWIGMJSZDSCG-UHFFFAOYSA-N
XLogP0.11
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.11
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

2-(4-aminocyclohexyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]acetamide
CID 114162833
N-(2-acetamidoethyl)-2-(4-aminocyclohexyl)acetamide
CID 55117197
2-(4-aminocyclohexyl)-N-(cyclopentylmethyl)acetamide
CID 62782345
3-[[2-(4-aminocyclohexyl)acetyl]amino]-N-ethylpropanamide
CID 113411080
2-(4-aminocyclohexyl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 55116762
2-[4-(aminomethyl)cyclohexyl]-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 63834528
N-[(3-aminocyclopentyl)methyl]-2-cyclopropylacetamide
CID 83619287
3-[[2-(4-aminocyclohexyl)acetyl]amino]-N-butan-2-ylpropanamide
CID 62781746
2-[[2-(ethylamino)acetyl]amino]ethyl carbamate
CID 83211277
2-(4-aminocyclohexyl)-N-(2,3-dimethylbutyl)acetamide
CID 64583220
2-(2-aminocyclohexyl)-N-(2-cyclohexyloxyethyl)acetamide
CID 63834168
3-(4-aminocyclohexyl)-N-(2-ethoxyethyl)propanamide
CID 62777706

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-aminocyclohexyl)acetyl]amino]ethyl carbamate?
The IUPAC name of 2-[[2-(4-aminocyclohexyl)acetyl]amino]ethyl carbamate (CID 83215436) is 2-[[2-(4-aminocyclohexyl)acetyl]amino]ethyl carbamate.
What is the SMILES notation for 2-[[2-(4-aminocyclohexyl)acetyl]amino]ethyl carbamate?
The canonical SMILES for 2-[[2-(4-aminocyclohexyl)acetyl]amino]ethyl carbamate is NC(=O)OCCNC(=O)CC1CCC(N)CC1.
What is the InChIKey of 2-[[2-(4-aminocyclohexyl)acetyl]amino]ethyl carbamate?
The InChIKey is FUPWIGMJSZDSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c12-9-3-1-8(2-4-9)7-10(15)14-5-6-17-11(13)16/h8-9H,1-7,12H2,(H2,13,16)(H,14,15).
What are the key properties of 2-[[2-(4-aminocyclohexyl)acetyl]amino]ethyl carbamate?
2-[[2-(4-aminocyclohexyl)acetyl]amino]ethyl carbamate has a molecular weight of 243.31 g/mol, XLogP of 0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-aminocyclohexyl)acetyl]amino]ethyl carbamate is sourced from PubChem (CID 83215436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).