N-cyclopropyl-4-(2,6-dioxaspiro[4.5]decan-9-ylamino)butanamide

C15H26N2O3 — CID 79903932

IUPACN-cyclopropyl-4-(2,6-dioxaspiro[4.5]decan-9-ylamino)butanamide
SMILESO=C(CCCNC1CCOC2(CCOC2)C1)NC1CC1
InChIInChI=1S/C15H26N2O3/c18-14(17-12-3-4-12)2-1-7-16-13-5-8-20-15(10-13)6-9-19-11-15/h12-13,16H,1-11H2,(H,17,18)
InChIKeyDVFBNSTXEMPLOE-UHFFFAOYSA-N
MW282.38 g/mol
LogP0.97
Rot. Bonds6

About N-cyclopropyl-4-(2,6-dioxaspiro[4.5]decan-9-ylamino)butanamide

N-cyclopropyl-4-(2,6-dioxaspiro[4.5]decan-9-ylamino)butanamide (PubChem CID 79903932) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is N-cyclopropyl-4-(2,6-dioxaspiro[4.5]decan-9-ylamino)butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(2,6-dioxaspiro[4.5]decan-9-ylamino)butanamide
PubChem CID79903932
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC NameN-cyclopropyl-4-(2,6-dioxaspiro[4.5]decan-9-ylamino)butanamide
SMILESO=C(CCCNC1CCOC2(CCOC2)C1)NC1CC1
InChIInChI=1S/C15H26N2O3/c18-14(17-12-3-4-12)2-1-7-16-13-5-8-20-15(10-13)6-9-19-11-15/h12-13,16H,1-11H2,(H,17,18)
InChIKeyDVFBNSTXEMPLOE-UHFFFAOYSA-N
XLogP0.97
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(1,9-dioxaspiro[5.5]undecan-4-ylamino)pentanamide
CID 106237589
N-cyclopropyl-4-[(2-ethyl-2-methyloxan-4-yl)amino]butanamide
CID 79395003
N-(3-methoxypropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898117
N-(2,6-dioxaspiro[4.5]decan-9-yl)-N',N'-dimethylbutane-1,4-diamine
CID 79895176
N-[3-(2,6-dioxaspiro[4.5]decan-9-ylamino)propyl]-N-ethylmethanesulfonamide
CID 79902853
N-(3-morpholin-4-ylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79897668
4-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)butanoic acid
CID 79894426
N-(2-methylsulfanylethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79904121
methyl 3-(1,9-dioxaspiro[5.5]undecan-4-ylamino)propanoate
CID 79894913
1-butyl-3-(2,6-dioxaspiro[4.5]decan-9-yl)urea
CID 86769827
N-cyclopropyl-4-[(4,4-dimethylcyclohexyl)amino]butanamide
CID 79032428
1-cyclopropyl-3-[(5R,9S)-2,6-dioxaspiro[4.5]decan-9-yl]-1-ethylurea
CID 129347011

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(2,6-dioxaspiro[4.5]decan-9-ylamino)butanamide?
The IUPAC name of N-cyclopropyl-4-(2,6-dioxaspiro[4.5]decan-9-ylamino)butanamide (CID 79903932) is N-cyclopropyl-4-(2,6-dioxaspiro[4.5]decan-9-ylamino)butanamide.
What is the SMILES notation for N-cyclopropyl-4-(2,6-dioxaspiro[4.5]decan-9-ylamino)butanamide?
The canonical SMILES for N-cyclopropyl-4-(2,6-dioxaspiro[4.5]decan-9-ylamino)butanamide is O=C(CCCNC1CCOC2(CCOC2)C1)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-(2,6-dioxaspiro[4.5]decan-9-ylamino)butanamide?
The InChIKey is DVFBNSTXEMPLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c18-14(17-12-3-4-12)2-1-7-16-13-5-8-20-15(10-13)6-9-19-11-15/h12-13,16H,1-11H2,(H,17,18).
What are the key properties of N-cyclopropyl-4-(2,6-dioxaspiro[4.5]decan-9-ylamino)butanamide?
N-cyclopropyl-4-(2,6-dioxaspiro[4.5]decan-9-ylamino)butanamide has a molecular weight of 282.38 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(2,6-dioxaspiro[4.5]decan-9-ylamino)butanamide is sourced from PubChem (CID 79903932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).