4-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxamide

C10H19N3O2 — CID 43698392

IUPAC4-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxamide
SMILESCNCC(=O)NC1CCC(C(N)=O)CC1
InChIInChI=1S/C10H19N3O2/c1-12-6-9(14)13-8-4-2-7(3-5-8)10(11)15/h7-8,12H,2-6H2,1H3,(H2,11,15)(H,13,14)
InChIKeyZGRYMXXFVWTJKN-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.63
Rot. Bonds4

About 4-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxamide

4-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxamide (PubChem CID 43698392) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxamide
PubChem CID43698392
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name4-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxamide
SMILESCNCC(=O)NC1CCC(C(N)=O)CC1
InChIInChI=1S/C10H19N3O2/c1-12-6-9(14)13-8-4-2-7(3-5-8)10(11)15/h7-8,12H,2-6H2,1H3,(H2,11,15)(H,13,14)
InChIKeyZGRYMXXFVWTJKN-UHFFFAOYSA-N
XLogP-0.63
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(cyclopropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxamide
CID 54914189
2-(methylamino)-N-(4-methylcyclohexyl)acetamide
CID 24706829
ethyl 4-[(4-carbamoylcyclohexyl)amino]-4-oxobutanoate
CID 60728078
4-[(6-amino-4,4-dimethylhexanoyl)amino]cyclohexane-1-carboxamide
CID 65290886
4-(5-bromopentanoylamino)cyclohexane-1-carboxamide
CID 107908592
dodecanoic acid;4-(dodecanoylamino)cyclohexane-1-carboxamide
CID 70017532
N-[2-(cyclohexylamino)-2-oxoethyl]-2-(methylamino)acetamide;hydrochloride
CID 119759466
4-[(3-amino-2-methylpropanoyl)amino]cyclohexane-1-carboxamide
CID 62670323
4-[[2-(2-aminoethoxy)acetyl]amino]cyclohexane-1-carboxamide
CID 79473987
2-(methylamino)-N-[4-(4-oxopentyl)cyclohexyl]acetamide
CID 167568621
4-(2-bromobutanoylamino)cyclohexane-1-carboxamide
CID 62854482
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3-methylbutanamide
CID 103914129

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxamide (CID 43698392) is 4-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxamide is CNCC(=O)NC1CCC(C(N)=O)CC1.
What is the InChIKey of 4-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxamide?
The InChIKey is ZGRYMXXFVWTJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-12-6-9(14)13-8-4-2-7(3-5-8)10(11)15/h7-8,12H,2-6H2,1H3,(H2,11,15)(H,13,14).
What are the key properties of 4-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxamide?
4-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxamide has a molecular weight of 213.28 g/mol, XLogP of -0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 43698392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).