N-cyclopropyl-3-(oxan-3-yl)-N-(pyrrolidin-2-ylmethyl)propanamide

C16H28N2O2 — CID 129008000

IUPACN-cyclopropyl-3-(oxan-3-yl)-N-(pyrrolidin-2-ylmethyl)propanamide
SMILESO=C(CCC1CCCOC1)N(CC1CCCN1)C1CC1
InChIInChI=1S/C16H28N2O2/c19-16(8-5-13-3-2-10-20-12-13)18(15-6-7-15)11-14-4-1-9-17-14/h13-15,17H,1-12H2
InChIKeyYGFBKENBDHBPCO-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.94
Rot. Bonds6

About N-cyclopropyl-3-(oxan-3-yl)-N-(pyrrolidin-2-ylmethyl)propanamide

N-cyclopropyl-3-(oxan-3-yl)-N-(pyrrolidin-2-ylmethyl)propanamide (PubChem CID 129008000) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-cyclopropyl-3-(oxan-3-yl)-N-(pyrrolidin-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(oxan-3-yl)-N-(pyrrolidin-2-ylmethyl)propanamide
PubChem CID129008000
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN-cyclopropyl-3-(oxan-3-yl)-N-(pyrrolidin-2-ylmethyl)propanamide
SMILESO=C(CCC1CCCOC1)N(CC1CCCN1)C1CC1
InChIInChI=1S/C16H28N2O2/c19-16(8-5-13-3-2-10-20-12-13)18(15-6-7-15)11-14-4-1-9-17-14/h13-15,17H,1-12H2
InChIKeyYGFBKENBDHBPCO-UHFFFAOYSA-N
XLogP1.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[(1S)-1-[(2S,4R)-2-cyclopropyloxan-4-yl]-2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl]carbamate
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N-cyclopropyl-2-(oxan-4-yl)-N-(pyrrolidin-3-ylmethyl)acetamide
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(2S)-2-amino-N-cyclopropyl-3-(oxan-3-yl)propanamide
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Methyl 3-[1-cyclopropyl-5-(2-methylpropanoylamino)piperidin-3-yl]propanoate
CID 84002362
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CID 91659674
N-[2-(cycloheptylamino)ethyl]-6-oxaspiro[2.5]octane-2-carboxamide
CID 91659675
(2R)-N-[2-(cycloheptylamino)ethyl]-6-oxaspiro[2.5]octane-2-carboxamide
CID 99849743
(2S)-N-[2-(cycloheptylamino)ethyl]-6-oxaspiro[2.5]octane-2-carboxamide
CID 99849744

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(oxan-3-yl)-N-(pyrrolidin-2-ylmethyl)propanamide?
The IUPAC name of N-cyclopropyl-3-(oxan-3-yl)-N-(pyrrolidin-2-ylmethyl)propanamide (CID 129008000) is N-cyclopropyl-3-(oxan-3-yl)-N-(pyrrolidin-2-ylmethyl)propanamide.
What is the SMILES notation for N-cyclopropyl-3-(oxan-3-yl)-N-(pyrrolidin-2-ylmethyl)propanamide?
The canonical SMILES for N-cyclopropyl-3-(oxan-3-yl)-N-(pyrrolidin-2-ylmethyl)propanamide is O=C(CCC1CCCOC1)N(CC1CCCN1)C1CC1.
What is the InChIKey of N-cyclopropyl-3-(oxan-3-yl)-N-(pyrrolidin-2-ylmethyl)propanamide?
The InChIKey is YGFBKENBDHBPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c19-16(8-5-13-3-2-10-20-12-13)18(15-6-7-15)11-14-4-1-9-17-14/h13-15,17H,1-12H2.
What are the key properties of N-cyclopropyl-3-(oxan-3-yl)-N-(pyrrolidin-2-ylmethyl)propanamide?
N-cyclopropyl-3-(oxan-3-yl)-N-(pyrrolidin-2-ylmethyl)propanamide has a molecular weight of 280.41 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(oxan-3-yl)-N-(pyrrolidin-2-ylmethyl)propanamide is sourced from PubChem (CID 129008000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).