N-(cyanomethyl)-2-(3-methoxypropylamino)acetamide

C8H15N3O2 — CID 43153290

IUPACN-(cyanomethyl)-2-(3-methoxypropylamino)acetamide
SMILESCOCCCNCC(=O)NCC#N
InChIInChI=1S/C8H15N3O2/c1-13-6-2-4-10-7-8(12)11-5-3-9/h10H,2,4-7H2,1H3,(H,11,12)
InChIKeyPQALBOFWZBBFTP-UHFFFAOYSA-N
MW185.23 g/mol
LogP-0.75
Rot. Bonds7

About N-(cyanomethyl)-2-(3-methoxypropylamino)acetamide

N-(cyanomethyl)-2-(3-methoxypropylamino)acetamide (PubChem CID 43153290) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is N-(cyanomethyl)-2-(3-methoxypropylamino)acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-(3-methoxypropylamino)acetamide
PubChem CID43153290
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC NameN-(cyanomethyl)-2-(3-methoxypropylamino)acetamide
SMILESCOCCCNCC(=O)NCC#N
InChIInChI=1S/C8H15N3O2/c1-13-6-2-4-10-7-8(12)11-5-3-9/h10H,2,4-7H2,1H3,(H,11,12)
InChIKeyPQALBOFWZBBFTP-UHFFFAOYSA-N
XLogP-0.75
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyanoethyl)-2-(4-methoxybutylamino)acetamide
CID 60975251
2-(2-methoxyethylamino)-N-(3-methoxypropyl)acetamide;hydrochloride
CID 119672351
N-(cyanomethyl)-4-methoxybutanamide
CID 78989538
N-(cyanomethyl)-2-(3-methylsulfanylpropylamino)acetamide
CID 63964920
2-(2-hydroxyethylamino)-N-(3-methoxypropyl)acetamide
CID 60647414
2-[3-(2-hydroxyethoxy)propylamino]-N-(3-methoxypropyl)acetamide
CID 106309953
2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]acetic acid
CID 43466021
2-(butylamino)-N-(2-methoxyethyl)acetamide
CID 54815346
2-(2-ethoxyethylamino)-N-(3-methoxypropyl)acetamide
CID 61486039
2-[3-(methanesulfonamido)propylamino]-N-(3-methoxypropyl)acetamide
CID 106336845
N-(cyanomethyl)-2-(2-methylsulfonylethylamino)acetamide
CID 60918929
2-[(5-hydroxy-4-methylpentyl)amino]-N-(3-methoxypropyl)acetamide
CID 114151909

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-(3-methoxypropylamino)acetamide?
The IUPAC name of N-(cyanomethyl)-2-(3-methoxypropylamino)acetamide (CID 43153290) is N-(cyanomethyl)-2-(3-methoxypropylamino)acetamide.
What is the SMILES notation for N-(cyanomethyl)-2-(3-methoxypropylamino)acetamide?
The canonical SMILES for N-(cyanomethyl)-2-(3-methoxypropylamino)acetamide is COCCCNCC(=O)NCC#N.
What is the InChIKey of N-(cyanomethyl)-2-(3-methoxypropylamino)acetamide?
The InChIKey is PQALBOFWZBBFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-13-6-2-4-10-7-8(12)11-5-3-9/h10H,2,4-7H2,1H3,(H,11,12).
What are the key properties of N-(cyanomethyl)-2-(3-methoxypropylamino)acetamide?
N-(cyanomethyl)-2-(3-methoxypropylamino)acetamide has a molecular weight of 185.23 g/mol, XLogP of -0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-(3-methoxypropylamino)acetamide is sourced from PubChem (CID 43153290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).