N-(3-hydroxypropyl)-3-(oxan-2-yl)-N-propan-2-ylpropanamide

C14H27NO3 — CID 63952166

IUPACN-(3-hydroxypropyl)-3-(oxan-2-yl)-N-propan-2-ylpropanamide
SMILESCC(C)N(CCCO)C(=O)CCC1CCCCO1
InChIInChI=1S/C14H27NO3/c1-12(2)15(9-5-10-16)14(17)8-7-13-6-3-4-11-18-13/h12-13,16H,3-11H2,1-2H3
InChIKeyYSAIDLIJZHIBQC-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.96
Rot. Bonds7

About N-(3-hydroxypropyl)-3-(oxan-2-yl)-N-propan-2-ylpropanamide

N-(3-hydroxypropyl)-3-(oxan-2-yl)-N-propan-2-ylpropanamide (PubChem CID 63952166) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-3-(oxan-2-yl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-3-(oxan-2-yl)-N-propan-2-ylpropanamide
PubChem CID63952166
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC NameN-(3-hydroxypropyl)-3-(oxan-2-yl)-N-propan-2-ylpropanamide
SMILESCC(C)N(CCCO)C(=O)CCC1CCCCO1
InChIInChI=1S/C14H27NO3/c1-12(2)15(9-5-10-16)14(17)8-7-13-6-3-4-11-18-13/h12-13,16H,3-11H2,1-2H3
InChIKeyYSAIDLIJZHIBQC-UHFFFAOYSA-N
XLogP1.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-N-methyl-3-(oxolan-2-yl)propanamide
CID 60749979
N-(1-chloropropan-2-yl)-N-methyl-3-(oxan-2-yl)propanamide
CID 104555648
3-[[2-(oxolan-2-yl)acetyl]-propan-2-ylamino]propanoic acid
CID 65157514
2-[carboxymethyl-[3-(oxan-2-yl)propanoyl]amino]acetic acid
CID 63951112
4-[3-cyclopentylpropanoyl(propan-2-yl)amino]butanoic acid
CID 60830928
4-[3-(oxolan-2-yl)propyl-propan-2-ylamino]butanoic acid
CID 65162413
N-(2-aminoethyl)-N-cyclopropyl-3-(oxan-2-yl)propanamide
CID 63952702
N-butyl-N-methyl-3-(oxolan-2-yl)propanamide
CID 86929613
N-(3-aminopropyl)-N-methyl-3-(oxolan-2-yl)propanamide
CID 65152557
N-(2-chloroethyl)-3-cyclopentyl-N-propan-2-ylpropanamide
CID 63393802
3-[(2R)-oxan-2-yl]propanoic acid;hydrochloride
CID 162327782
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-3-(oxan-2-yl)propanamide
CID 107493399

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-3-(oxan-2-yl)-N-propan-2-ylpropanamide?
The IUPAC name of N-(3-hydroxypropyl)-3-(oxan-2-yl)-N-propan-2-ylpropanamide (CID 63952166) is N-(3-hydroxypropyl)-3-(oxan-2-yl)-N-propan-2-ylpropanamide.
What is the SMILES notation for N-(3-hydroxypropyl)-3-(oxan-2-yl)-N-propan-2-ylpropanamide?
The canonical SMILES for N-(3-hydroxypropyl)-3-(oxan-2-yl)-N-propan-2-ylpropanamide is CC(C)N(CCCO)C(=O)CCC1CCCCO1.
What is the InChIKey of N-(3-hydroxypropyl)-3-(oxan-2-yl)-N-propan-2-ylpropanamide?
The InChIKey is YSAIDLIJZHIBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-12(2)15(9-5-10-16)14(17)8-7-13-6-3-4-11-18-13/h12-13,16H,3-11H2,1-2H3.
What are the key properties of N-(3-hydroxypropyl)-3-(oxan-2-yl)-N-propan-2-ylpropanamide?
N-(3-hydroxypropyl)-3-(oxan-2-yl)-N-propan-2-ylpropanamide has a molecular weight of 257.37 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-3-(oxan-2-yl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 63952166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).