3-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanamide

C11H21N3O2 — CID 43553526

IUPAC3-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanamide
SMILESNC(=O)CCNCC(=O)NC1CCCCC1
InChIInChI=1S/C11H21N3O2/c12-10(15)6-7-13-8-11(16)14-9-4-2-1-3-5-9/h9,13H,1-8H2,(H2,12,15)(H,14,16)
InChIKeyZVIQZFUKCZUPRH-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.10
Rot. Bonds6

About 3-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanamide

3-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanamide (PubChem CID 43553526) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanamide.

Molecular Properties

Compound Name3-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanamide
PubChem CID43553526
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name3-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanamide
SMILESNC(=O)CCNCC(=O)NC1CCCCC1
InChIInChI=1S/C11H21N3O2/c12-10(15)6-7-13-8-11(16)14-9-4-2-1-3-5-9/h9,13H,1-8H2,(H2,12,15)(H,14,16)
InChIKeyZVIQZFUKCZUPRH-UHFFFAOYSA-N
XLogP-0.10
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cycloheptyl-N'-cyclopentylpropanediamide
CID 108942189
3-[[2-(cyclopropylamino)-2-oxoethyl]amino]propanoic acid
CID 43466674
4-[(3-amino-3-oxopropyl)amino]-N-cyclopropylbutanamide
CID 79394455
N-cyclohexyl-2-(hexadecylamino)acetamide
CID 54808904
N-cyclopropyl-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]acetamide
CID 113268579
N-cycloheptyl-2-(2-cyclohexyloxyethylamino)acetamide
CID 63829111
N'-cyclopentylpropanediamide
CID 126996415
N-cycloheptyl-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119674667
N-cyclopentyl-2-(4-hydroxypentylamino)acetamide
CID 106131018
N-cyclohexyl-2-(4,4,4-trifluorobutylamino)acetamide
CID 115518172
N-cycloheptyl-2-(3-methylsulfanylpropylamino)acetamide
CID 63964270
N-cyclohexyl-2-(3-methoxypropylamino)acetamide
CID 43089974

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanamide?
The IUPAC name of 3-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanamide (CID 43553526) is 3-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanamide.
What is the SMILES notation for 3-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanamide?
The canonical SMILES for 3-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanamide is NC(=O)CCNCC(=O)NC1CCCCC1.
What is the InChIKey of 3-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanamide?
The InChIKey is ZVIQZFUKCZUPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c12-10(15)6-7-13-8-11(16)14-9-4-2-1-3-5-9/h9,13H,1-8H2,(H2,12,15)(H,14,16).
What are the key properties of 3-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanamide?
3-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanamide has a molecular weight of 227.31 g/mol, XLogP of -0.10, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanamide is sourced from PubChem (CID 43553526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).