N-cyclopropyl-4-[(2-methyloxan-4-yl)amino]butanamide

C13H24N2O2 — CID 79393847

IUPACN-cyclopropyl-4-[(2-methyloxan-4-yl)amino]butanamide
SMILESCC1CC(NCCCC(=O)NC2CC2)CCO1
InChIInChI=1S/C13H24N2O2/c1-10-9-12(6-8-17-10)14-7-2-3-13(16)15-11-4-5-11/h10-12,14H,2-9H2,1H3,(H,15,16)
InChIKeyXTCCMIOXYRAQNM-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.20
Rot. Bonds6

About N-cyclopropyl-4-[(2-methyloxan-4-yl)amino]butanamide

N-cyclopropyl-4-[(2-methyloxan-4-yl)amino]butanamide (PubChem CID 79393847) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-cyclopropyl-4-[(2-methyloxan-4-yl)amino]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(2-methyloxan-4-yl)amino]butanamide
PubChem CID79393847
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-cyclopropyl-4-[(2-methyloxan-4-yl)amino]butanamide
SMILESCC1CC(NCCCC(=O)NC2CC2)CCO1
InChIInChI=1S/C13H24N2O2/c1-10-9-12(6-8-17-10)14-7-2-3-13(16)15-11-4-5-11/h10-12,14H,2-9H2,1H3,(H,15,16)
InChIKeyXTCCMIOXYRAQNM-UHFFFAOYSA-N
XLogP1.20
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[(E)-pent-3-enyl]oxan-4-amine
CID 115898630
N-cyclopropyl-4-[(4,4-dimethylcyclohexyl)amino]butanamide
CID 79032428
N-[3-[(2-methyloxan-4-yl)amino]propyl]methanesulfonamide
CID 103910287
N-cyclopropyl-4-[(2-ethyl-2-methyloxan-4-yl)amino]butanamide
CID 79395003
tert-butyl 4-[(2-methyloxan-4-yl)amino]-4-oxobutanoate
CID 106812356
2-methyl-N-(3-propoxypropyl)oxan-4-amine
CID 82942441
N-(3-chloro-2-methylprop-2-enyl)-2-methyloxan-4-amine
CID 106438247
N-cyclopropyl-4-(2,6-dioxaspiro[4.5]decan-9-ylamino)butanamide
CID 79903932
3-amino-N-(2-methyloxan-4-yl)butanamide;hydrochloride
CID 120873943
N,N'-dicyclopropyldecanediamide
CID 4668836
1-(2-methyloxan-4-yl)-3-propylurea
CID 103887319
N-cyclopropyl-4-[[3-(4-methylphenyl)cyclobutyl]amino]butanamide
CID 79378064

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(2-methyloxan-4-yl)amino]butanamide?
The IUPAC name of N-cyclopropyl-4-[(2-methyloxan-4-yl)amino]butanamide (CID 79393847) is N-cyclopropyl-4-[(2-methyloxan-4-yl)amino]butanamide.
What is the SMILES notation for N-cyclopropyl-4-[(2-methyloxan-4-yl)amino]butanamide?
The canonical SMILES for N-cyclopropyl-4-[(2-methyloxan-4-yl)amino]butanamide is CC1CC(NCCCC(=O)NC2CC2)CCO1.
What is the InChIKey of N-cyclopropyl-4-[(2-methyloxan-4-yl)amino]butanamide?
The InChIKey is XTCCMIOXYRAQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10-9-12(6-8-17-10)14-7-2-3-13(16)15-11-4-5-11/h10-12,14H,2-9H2,1H3,(H,15,16).
What are the key properties of N-cyclopropyl-4-[(2-methyloxan-4-yl)amino]butanamide?
N-cyclopropyl-4-[(2-methyloxan-4-yl)amino]butanamide has a molecular weight of 240.35 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(2-methyloxan-4-yl)amino]butanamide is sourced from PubChem (CID 79393847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).