N-methyl-N-(oxan-2-ylmethyl)-3-(propan-2-ylamino)propanamide

C13H26N2O2 — CID 61436363

IUPACN-methyl-N-(oxan-2-ylmethyl)-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)N(C)CC1CCCCO1
InChIInChI=1S/C13H26N2O2/c1-11(2)14-8-7-13(16)15(3)10-12-6-4-5-9-17-12/h11-12,14H,4-10H2,1-3H3
InChIKeyOHZQLABTWKJFOQ-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.40
Rot. Bonds6

About N-methyl-N-(oxan-2-ylmethyl)-3-(propan-2-ylamino)propanamide

N-methyl-N-(oxan-2-ylmethyl)-3-(propan-2-ylamino)propanamide (PubChem CID 61436363) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-methyl-N-(oxan-2-ylmethyl)-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-2-ylmethyl)-3-(propan-2-ylamino)propanamide
PubChem CID61436363
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-methyl-N-(oxan-2-ylmethyl)-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)N(C)CC1CCCCO1
InChIInChI=1S/C13H26N2O2/c1-11(2)14-8-7-13(16)15(3)10-12-6-4-5-9-17-12/h11-12,14H,4-10H2,1-3H3
InChIKeyOHZQLABTWKJFOQ-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-(methylamino)-N-(oxan-2-ylmethyl)butanamide
CID 61436258
N-methyl-N-(oxolan-2-ylmethyl)-2-(propan-2-ylamino)acetamide
CID 61436099
N'-methyl-N'-(oxan-2-ylmethyl)-N-propan-2-ylethane-1,2-diamine
CID 61436349
2-(1-hydroxycyclohexyl)-N-methyl-N-(oxan-2-ylmethyl)acetamide
CID 111537176
3-[[benzyl(methyl)carbamoyl]amino]-N-methyl-N-[[(2S)-oxan-2-yl]methyl]propanamide
CID 96998499
6-[methyl(oxolan-2-ylmethyl)amino]-6-oxohexanoic acid
CID 61432529
2-methyl-3-[methyl(oxan-2-ylmethyl)amino]-3-oxopropanoic acid
CID 114898209
2-(cyclopropylmethylamino)-N-methyl-N-(oxan-2-ylmethyl)acetamide;hydrochloride
CID 119746345
N-methyl-N-(oxan-2-ylmethyl)-3-piperidin-2-ylpropanamide
CID 62211472
1-methyl-1-(oxolan-2-ylmethyl)-3-propan-2-ylurea
CID 110749026
3-amino-1-methyl-1-(oxan-2-ylmethyl)urea
CID 61436031
N,2-dimethyl-N-(oxolan-2-ylmethyl)propanamide
CID 61243218

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-2-ylmethyl)-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-methyl-N-(oxan-2-ylmethyl)-3-(propan-2-ylamino)propanamide (CID 61436363) is N-methyl-N-(oxan-2-ylmethyl)-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-methyl-N-(oxan-2-ylmethyl)-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-methyl-N-(oxan-2-ylmethyl)-3-(propan-2-ylamino)propanamide is CC(C)NCCC(=O)N(C)CC1CCCCO1.
What is the InChIKey of N-methyl-N-(oxan-2-ylmethyl)-3-(propan-2-ylamino)propanamide?
The InChIKey is OHZQLABTWKJFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11(2)14-8-7-13(16)15(3)10-12-6-4-5-9-17-12/h11-12,14H,4-10H2,1-3H3.
What are the key properties of N-methyl-N-(oxan-2-ylmethyl)-3-(propan-2-ylamino)propanamide?
N-methyl-N-(oxan-2-ylmethyl)-3-(propan-2-ylamino)propanamide has a molecular weight of 242.36 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-2-ylmethyl)-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 61436363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).