N-[2-(methylcarbamoylamino)ethyl]cyclopropanecarboxamide

C8H15N3O2 — CID 115575200

IUPACN-[2-(methylcarbamoylamino)ethyl]cyclopropanecarboxamide
SMILESCNC(=O)NCCNC(=O)C1CC1
InChIInChI=1S/C8H15N3O2/c1-9-8(13)11-5-4-10-7(12)6-2-3-6/h6H,2-5H2,1H3,(H,10,12)(H2,9,11,13)
InChIKeyWIRILBLXGMMYPS-UHFFFAOYSA-N
MW185.23 g/mol
LogP-0.56
Rot. Bonds4

About N-[2-(methylcarbamoylamino)ethyl]cyclopropanecarboxamide

N-[2-(methylcarbamoylamino)ethyl]cyclopropanecarboxamide (PubChem CID 115575200) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is N-[2-(methylcarbamoylamino)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(methylcarbamoylamino)ethyl]cyclopropanecarboxamide
PubChem CID115575200
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC NameN-[2-(methylcarbamoylamino)ethyl]cyclopropanecarboxamide
SMILESCNC(=O)NCCNC(=O)C1CC1
InChIInChI=1S/C8H15N3O2/c1-9-8(13)11-5-4-10-7(12)6-2-3-6/h6H,2-5H2,1H3,(H,10,12)(H2,9,11,13)
InChIKeyWIRILBLXGMMYPS-UHFFFAOYSA-N
XLogP-0.56
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[3-(methylamino)-3-oxopropyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 63782655
N-[2-(methylamino)ethyl]cyclobutanecarboxamide
CID 62659847
1-methyl-3-[2-(methylamino)ethyl]urea
CID 22381232
1-[2-(cyclobutylamino)ethyl]-3-methylurea
CID 123788370
4-(aminomethyl)-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide
CID 104963779
3-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]-2-hydroxypropanoic acid
CID 113481426
N-[2-(methylamino)ethyl]piperidine-4-carboxamide
CID 118234588
N-[2-[[(E)-but-2-enoyl]amino]ethyl]cyclopropanecarboxamide
CID 115569712
(2R)-2-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]pentanoic acid
CID 107567632
(2R)-2-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]butanedioic acid
CID 104865053
4-methyl-N-[2-(propylamino)ethyl]cyclohexane-1-carboxamide
CID 115563516
N-(2-methylsulfonylethyl)cyclopropanecarboxamide
CID 61066556

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylcarbamoylamino)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(methylcarbamoylamino)ethyl]cyclopropanecarboxamide (CID 115575200) is N-[2-(methylcarbamoylamino)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(methylcarbamoylamino)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(methylcarbamoylamino)ethyl]cyclopropanecarboxamide is CNC(=O)NCCNC(=O)C1CC1.
What is the InChIKey of N-[2-(methylcarbamoylamino)ethyl]cyclopropanecarboxamide?
The InChIKey is WIRILBLXGMMYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-9-8(13)11-5-4-10-7(12)6-2-3-6/h6H,2-5H2,1H3,(H,10,12)(H2,9,11,13).
What are the key properties of N-[2-(methylcarbamoylamino)ethyl]cyclopropanecarboxamide?
N-[2-(methylcarbamoylamino)ethyl]cyclopropanecarboxamide has a molecular weight of 185.23 g/mol, XLogP of -0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylcarbamoylamino)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 115575200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).