N-(1-amino-4,4-dimethylpentan-3-yl)-3-(oxan-2-yl)propanamide

C15H30N2O2 — CID 106356996

IUPACN-(1-amino-4,4-dimethylpentan-3-yl)-3-(oxan-2-yl)propanamide
SMILESCC(C)(C)C(CCN)NC(=O)CCC1CCCCO1
InChIInChI=1S/C15H30N2O2/c1-15(2,3)13(9-10-16)17-14(18)8-7-12-6-4-5-11-19-12/h12-13H,4-11,16H2,1-3H3,(H,17,18)
InChIKeyRGTSIPPHCKPGLT-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.22
Rot. Bonds6

About N-(1-amino-4,4-dimethylpentan-3-yl)-3-(oxan-2-yl)propanamide

N-(1-amino-4,4-dimethylpentan-3-yl)-3-(oxan-2-yl)propanamide (PubChem CID 106356996) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-(1-amino-4,4-dimethylpentan-3-yl)-3-(oxan-2-yl)propanamide.

Molecular Properties

Compound NameN-(1-amino-4,4-dimethylpentan-3-yl)-3-(oxan-2-yl)propanamide
PubChem CID106356996
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC NameN-(1-amino-4,4-dimethylpentan-3-yl)-3-(oxan-2-yl)propanamide
SMILESCC(C)(C)C(CCN)NC(=O)CCC1CCCCO1
InChIInChI=1S/C15H30N2O2/c1-15(2,3)13(9-10-16)17-14(18)8-7-12-6-4-5-11-19-12/h12-13H,4-11,16H2,1-3H3,(H,17,18)
InChIKeyRGTSIPPHCKPGLT-UHFFFAOYSA-N
XLogP2.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-methyl-2-[3-(oxan-2-yl)propanoylamino]butanoic acid
CID 79010668
methyl 2-[3-(oxan-2-yl)propanoylamino]propanoate
CID 63953576
N-(1-chloro-3-methylbutan-2-yl)-3-(oxan-2-yl)propanamide
CID 114305527
N-(1-amino-4,4-dimethylpentan-3-yl)-2-cyclopentylacetamide
CID 114178189
N-(1-amino-3-methoxypropan-2-yl)-3-(oxan-2-yl)propanamide
CID 106180827
N-(1-chloropropan-2-yl)-3-(oxan-2-yl)propanamide
CID 114299597
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-(oxan-2-yl)propanamide
CID 77038460
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(oxan-2-yl)propanamide
CID 113354475
N-(3-aminopropyl)-3-(oxan-2-yl)propanamide
CID 63953300
(2S)-4-hydroxy-2-[3-(oxan-2-yl)propanoylamino]butanoic acid
CID 107821935
N-(3,3-dimethyl-2-oxobutyl)-3-(oxan-2-yl)propanamide
CID 64991618
N-(1-bromo-4-methylpentan-3-yl)-3-(oxolan-2-yl)propanamide
CID 106355140

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4,4-dimethylpentan-3-yl)-3-(oxan-2-yl)propanamide?
The IUPAC name of N-(1-amino-4,4-dimethylpentan-3-yl)-3-(oxan-2-yl)propanamide (CID 106356996) is N-(1-amino-4,4-dimethylpentan-3-yl)-3-(oxan-2-yl)propanamide.
What is the SMILES notation for N-(1-amino-4,4-dimethylpentan-3-yl)-3-(oxan-2-yl)propanamide?
The canonical SMILES for N-(1-amino-4,4-dimethylpentan-3-yl)-3-(oxan-2-yl)propanamide is CC(C)(C)C(CCN)NC(=O)CCC1CCCCO1.
What is the InChIKey of N-(1-amino-4,4-dimethylpentan-3-yl)-3-(oxan-2-yl)propanamide?
The InChIKey is RGTSIPPHCKPGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-15(2,3)13(9-10-16)17-14(18)8-7-12-6-4-5-11-19-12/h12-13H,4-11,16H2,1-3H3,(H,17,18).
What are the key properties of N-(1-amino-4,4-dimethylpentan-3-yl)-3-(oxan-2-yl)propanamide?
N-(1-amino-4,4-dimethylpentan-3-yl)-3-(oxan-2-yl)propanamide has a molecular weight of 270.42 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4,4-dimethylpentan-3-yl)-3-(oxan-2-yl)propanamide is sourced from PubChem (CID 106356996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).