N-(1-amino-3-methoxypropan-2-yl)-3-(oxan-2-yl)propanamide

C12H24N2O3 — CID 106180827

IUPACN-(1-amino-3-methoxypropan-2-yl)-3-(oxan-2-yl)propanamide
SMILESCOCC(CN)NC(=O)CCC1CCCCO1
InChIInChI=1S/C12H24N2O3/c1-16-9-10(8-13)14-12(15)6-5-11-4-2-3-7-17-11/h10-11H,2-9,13H2,1H3,(H,14,15)
InChIKeyGZSFJRFNJUVXRP-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.43
Rot. Bonds7

About N-(1-amino-3-methoxypropan-2-yl)-3-(oxan-2-yl)propanamide

N-(1-amino-3-methoxypropan-2-yl)-3-(oxan-2-yl)propanamide (PubChem CID 106180827) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is N-(1-amino-3-methoxypropan-2-yl)-3-(oxan-2-yl)propanamide.

Molecular Properties

Compound NameN-(1-amino-3-methoxypropan-2-yl)-3-(oxan-2-yl)propanamide
PubChem CID106180827
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC NameN-(1-amino-3-methoxypropan-2-yl)-3-(oxan-2-yl)propanamide
SMILESCOCC(CN)NC(=O)CCC1CCCCO1
InChIInChI=1S/C12H24N2O3/c1-16-9-10(8-13)14-12(15)6-5-11-4-2-3-7-17-11/h10-11H,2-9,13H2,1H3,(H,14,15)
InChIKeyGZSFJRFNJUVXRP-UHFFFAOYSA-N
XLogP0.43
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-chloro-3-methoxypropan-2-yl)-3-(oxan-2-yl)propanamide
CID 106183350
methyl 2-[3-(oxan-2-yl)propanoylamino]propanoate
CID 63953576
(2R)-5-methoxy-2-[3-(oxan-2-yl)propanoylamino]-5-oxopentanoic acid
CID 107820646
N-(1,3-dihydroxypropan-2-yl)-3-(oxolan-2-yl)propanamide
CID 65312487
N-(1-chloro-4-methylpentan-2-yl)-3-(oxan-2-yl)propanamide
CID 113272518
N-(1-amino-4,4-dimethylpentan-3-yl)-3-(oxan-2-yl)propanamide
CID 106356996
N-(1-chloropropan-2-yl)-3-(oxan-2-yl)propanamide
CID 114299597
(2R)-3-methyl-2-[3-(oxan-2-yl)propanoylamino]butanoic acid
CID 79010668
N-(1-bromo-4-methylpentan-2-yl)-3-(oxolan-2-yl)propanamide
CID 114311800
N-(1-chloro-3-methylbutan-2-yl)-3-(oxan-2-yl)propanamide
CID 114305527
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-(oxan-2-yl)propanamide
CID 77038460
2-amino-3-methoxy-N-[2-(oxolan-2-yl)ethyl]propanamide
CID 81089453

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methoxypropan-2-yl)-3-(oxan-2-yl)propanamide?
The IUPAC name of N-(1-amino-3-methoxypropan-2-yl)-3-(oxan-2-yl)propanamide (CID 106180827) is N-(1-amino-3-methoxypropan-2-yl)-3-(oxan-2-yl)propanamide.
What is the SMILES notation for N-(1-amino-3-methoxypropan-2-yl)-3-(oxan-2-yl)propanamide?
The canonical SMILES for N-(1-amino-3-methoxypropan-2-yl)-3-(oxan-2-yl)propanamide is COCC(CN)NC(=O)CCC1CCCCO1.
What is the InChIKey of N-(1-amino-3-methoxypropan-2-yl)-3-(oxan-2-yl)propanamide?
The InChIKey is GZSFJRFNJUVXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-16-9-10(8-13)14-12(15)6-5-11-4-2-3-7-17-11/h10-11H,2-9,13H2,1H3,(H,14,15).
What are the key properties of N-(1-amino-3-methoxypropan-2-yl)-3-(oxan-2-yl)propanamide?
N-(1-amino-3-methoxypropan-2-yl)-3-(oxan-2-yl)propanamide has a molecular weight of 244.33 g/mol, XLogP of 0.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methoxypropan-2-yl)-3-(oxan-2-yl)propanamide is sourced from PubChem (CID 106180827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).