4-[[2-(cyclopropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxamide

C12H21N3O2 — CID 54914189

IUPAC4-[[2-(cyclopropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NCC(=O)NC2CC2)CC1
InChIInChI=1S/C12H21N3O2/c13-12(17)8-1-3-9(4-2-8)14-7-11(16)15-10-5-6-10/h8-10,14H,1-7H2,(H2,13,17)(H,15,16)
InChIKeyQVODTYSNWRTFJD-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.10
Rot. Bonds5

About 4-[[2-(cyclopropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxamide

4-[[2-(cyclopropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxamide (PubChem CID 54914189) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-[[2-(cyclopropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[2-(cyclopropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxamide
PubChem CID54914189
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name4-[[2-(cyclopropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NCC(=O)NC2CC2)CC1
InChIInChI=1S/C12H21N3O2/c13-12(17)8-1-3-9(4-2-8)14-7-11(16)15-10-5-6-10/h8-10,14H,1-7H2,(H2,13,17)(H,15,16)
InChIKeyQVODTYSNWRTFJD-UHFFFAOYSA-N
XLogP-0.10
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxamide
CID 43698392
2-(cyclopropylamino)-N-[2-(cyclopropylamino)-2-oxoethyl]acetamide
CID 60842326
3-[[2-(cyclopropylamino)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66031562
N-cyclopropyl-2-(piperidin-4-ylamino)acetamide
CID 61016595
4-(5-bromopentanoylamino)cyclohexane-1-carboxamide
CID 107908592
2-[(1-acetylpiperidin-4-yl)amino]-N-cyclopropylacetamide
CID 43231891
4-[[2-(2-aminoethoxy)acetyl]amino]cyclohexane-1-carboxamide
CID 79473987
ethyl 4-[(4-carbamoylcyclohexyl)amino]-4-oxobutanoate
CID 60728078
4-[(6-amino-4,4-dimethylhexanoyl)amino]cyclohexane-1-carboxamide
CID 65290886
N-cyclopropyl-2-[(4,4-dimethylcycloheptyl)amino]acetamide
CID 65084569
N-cyclopropyl-2-[(3,4-dimethylcyclohexyl)amino]acetamide
CID 64732207
dodecanoic acid;4-(dodecanoylamino)cyclohexane-1-carboxamide
CID 70017532

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(cyclopropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[[2-(cyclopropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxamide (CID 54914189) is 4-[[2-(cyclopropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[2-(cyclopropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[[2-(cyclopropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxamide is NC(=O)C1CCC(NCC(=O)NC2CC2)CC1.
What is the InChIKey of 4-[[2-(cyclopropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxamide?
The InChIKey is QVODTYSNWRTFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c13-12(17)8-1-3-9(4-2-8)14-7-11(16)15-10-5-6-10/h8-10,14H,1-7H2,(H2,13,17)(H,15,16).
What are the key properties of 4-[[2-(cyclopropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxamide?
4-[[2-(cyclopropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxamide has a molecular weight of 239.32 g/mol, XLogP of -0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(cyclopropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 54914189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).