N-cyclopropyl-4-(methylcarbamoylamino)butanamide

C9H17N3O2 — CID 115582642

IUPACN-cyclopropyl-4-(methylcarbamoylamino)butanamide
SMILESCNC(=O)NCCCC(=O)NC1CC1
InChIInChI=1S/C9H17N3O2/c1-10-9(14)11-6-2-3-8(13)12-7-4-5-7/h7H,2-6H2,1H3,(H,12,13)(H2,10,11,14)
InChIKeyZEHOEKGWTBKVBH-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.03
Rot. Bonds5

About N-cyclopropyl-4-(methylcarbamoylamino)butanamide

N-cyclopropyl-4-(methylcarbamoylamino)butanamide (PubChem CID 115582642) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is N-cyclopropyl-4-(methylcarbamoylamino)butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(methylcarbamoylamino)butanamide
PubChem CID115582642
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC NameN-cyclopropyl-4-(methylcarbamoylamino)butanamide
SMILESCNC(=O)NCCCC(=O)NC1CC1
InChIInChI=1S/C9H17N3O2/c1-10-9(14)11-6-2-3-8(13)12-7-4-5-7/h7H,2-6H2,1H3,(H,12,13)(H2,10,11,14)
InChIKeyZEHOEKGWTBKVBH-UHFFFAOYSA-N
XLogP-0.03
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.03
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

N-cyclopropyl-4-[[3-(methylamino)-3-oxopropyl]amino]butanamide
CID 79394133
N-cyclopropyl-4-[[2-(methylamino)acetyl]amino]butanamide
CID 79400929
4-(carbamoylamino)-N-cyclopropylbutanamide
CID 78907158
N-[4-(cyclopropylamino)-4-oxobutyl]-2-methyl-3-(methylamino)propanamide
CID 79400697
N-cyclopropyl-4-[3-(propan-2-ylamino)propanoylamino]butanamide
CID 79401446
N-[4-(cyclopropylamino)-4-oxobutyl]cyclopropanecarboxamide
CID 84505349
N-cyclopropyl-4-(2-sulfanylpropanoylamino)butanamide
CID 107032147
N-cyclopropyl-4-(ethylcarbamothioylamino)butanamide
CID 115583406
4-[[4-(cyclopropylamino)-4-oxobutyl]carbamoylamino]-3-methylbutanoic acid
CID 81070939
N-[4-(methylcarbamoylamino)cyclohexyl]butanamide
CID 166654553
N,N'-dicyclopropyldecanediamide
CID 4668836
(2R)-2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]butanamide
CID 79401766

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(methylcarbamoylamino)butanamide?
The IUPAC name of N-cyclopropyl-4-(methylcarbamoylamino)butanamide (CID 115582642) is N-cyclopropyl-4-(methylcarbamoylamino)butanamide.
What is the SMILES notation for N-cyclopropyl-4-(methylcarbamoylamino)butanamide?
The canonical SMILES for N-cyclopropyl-4-(methylcarbamoylamino)butanamide is CNC(=O)NCCCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-(methylcarbamoylamino)butanamide?
The InChIKey is ZEHOEKGWTBKVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-10-9(14)11-6-2-3-8(13)12-7-4-5-7/h7H,2-6H2,1H3,(H,12,13)(H2,10,11,14).
What are the key properties of N-cyclopropyl-4-(methylcarbamoylamino)butanamide?
N-cyclopropyl-4-(methylcarbamoylamino)butanamide has a molecular weight of 199.25 g/mol, XLogP of -0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(methylcarbamoylamino)butanamide is sourced from PubChem (CID 115582642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).