4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)pentanamide

C15H30N2O2 — CID 120563993

IUPAC4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)pentanamide
SMILESCCCCOC1CC(NC(=O)CCC(C)N)C1(C)C
InChIInChI=1S/C15H30N2O2/c1-5-6-9-19-13-10-12(15(13,3)4)17-14(18)8-7-11(2)16/h11-13H,5-10,16H2,1-4H3,(H,17,18)
InChIKeyMEMRYTNRRJZTNC-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.21
Rot. Bonds8

About 4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)pentanamide

4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)pentanamide (PubChem CID 120563993) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)pentanamide.

Molecular Properties

Compound Name4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)pentanamide
PubChem CID120563993
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)pentanamide
SMILESCCCCOC1CC(NC(=O)CCC(C)N)C1(C)C
InChIInChI=1S/C15H30N2O2/c1-5-6-9-19-13-10-12(15(13,3)4)17-14(18)8-7-11(2)16/h11-13H,5-10,16H2,1-4H3,(H,17,18)
InChIKeyMEMRYTNRRJZTNC-UHFFFAOYSA-N
XLogP2.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.21
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

(3S)-4-amino-N-[(1S,3R)-3-butoxy-2,2-dimethylcyclobutyl]-3-methylbutanamide
CID 100632174
(3S)-4-amino-N-[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]-3-methylbutanamide
CID 100632207
3-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-2-methylbutanamide;hydrochloride
CID 120502255
(2S)-2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-3,3-dimethylbutanamide
CID 119819267
4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-3-methoxybutanamide;hydrochloride
CID 120594260
1-(3-butoxy-2,2-dimethylcyclobutyl)-2-(2-methylpropyl)guanidine
CID 111823203
2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-2-(oxan-4-yl)acetamide
CID 120796320
6-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-6-oxohexanoic acid
CID 114118834
(2R)-1-[(3-butoxy-2,2-dimethylcyclobutyl)amino]propan-2-ol
CID 103922183
2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-2-methylpentanamide;hydrochloride
CID 119819292
3-[(3-butoxy-2,2-dimethylcyclobutyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122005126
(2R)-2-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)butanamide
CID 104878201

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)pentanamide?
The IUPAC name of 4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)pentanamide (CID 120563993) is 4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)pentanamide.
What is the SMILES notation for 4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)pentanamide?
The canonical SMILES for 4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)pentanamide is CCCCOC1CC(NC(=O)CCC(C)N)C1(C)C.
What is the InChIKey of 4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)pentanamide?
The InChIKey is MEMRYTNRRJZTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-5-6-9-19-13-10-12(15(13,3)4)17-14(18)8-7-11(2)16/h11-13H,5-10,16H2,1-4H3,(H,17,18).
What are the key properties of 4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)pentanamide?
4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)pentanamide has a molecular weight of 270.42 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)pentanamide is sourced from PubChem (CID 120563993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).