(2R)-2-(oxan-4-yl)-N-[2-(propylamino)phenyl]propanamide

C17H26N2O2 — CID 99795233

IUPAC(2R)-2-(oxan-4-yl)-N-[2-(propylamino)phenyl]propanamide
SMILESCCCNc1ccccc1NC(=O)[C@H](C)C1CCOCC1
InChIInChI=1S/C17H26N2O2/c1-3-10-18-15-6-4-5-7-16(15)19-17(20)13(2)14-8-11-21-12-9-14/h4-7,13-14,18H,3,8-12H2,1-2H3,(H,19,20)/t13-/m1/s1
InChIKeyBZXXTNYKIVQPAV-CYBMUJFWSA-N
MW290.41 g/mol
LogP3.51
Rot. Bonds6

About (2R)-2-(oxan-4-yl)-N-[2-(propylamino)phenyl]propanamide

(2R)-2-(oxan-4-yl)-N-[2-(propylamino)phenyl]propanamide (PubChem CID 99795233) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (2R)-2-(oxan-4-yl)-N-[2-(propylamino)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(oxan-4-yl)-N-[2-(propylamino)phenyl]propanamide
PubChem CID99795233
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(2R)-2-(oxan-4-yl)-N-[2-(propylamino)phenyl]propanamide
SMILESCCCNc1ccccc1NC(=O)[C@H](C)C1CCOCC1
InChIInChI=1S/C17H26N2O2/c1-3-10-18-15-6-4-5-7-16(15)19-17(20)13(2)14-8-11-21-12-9-14/h4-7,13-14,18H,3,8-12H2,1-2H3,(H,19,20)/t13-/m1/s1
InChIKeyBZXXTNYKIVQPAV-CYBMUJFWSA-N
XLogP3.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(oxan-4-yl)-N-[2-(propylamino)phenyl]propanamide?
The IUPAC name of (2R)-2-(oxan-4-yl)-N-[2-(propylamino)phenyl]propanamide (CID 99795233) is (2R)-2-(oxan-4-yl)-N-[2-(propylamino)phenyl]propanamide.
What is the SMILES notation for (2R)-2-(oxan-4-yl)-N-[2-(propylamino)phenyl]propanamide?
The canonical SMILES for (2R)-2-(oxan-4-yl)-N-[2-(propylamino)phenyl]propanamide is CCCNc1ccccc1NC(=O)[C@H](C)C1CCOCC1.
What is the InChIKey of (2R)-2-(oxan-4-yl)-N-[2-(propylamino)phenyl]propanamide?
The InChIKey is BZXXTNYKIVQPAV-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-10-18-15-6-4-5-7-16(15)19-17(20)13(2)14-8-11-21-12-9-14/h4-7,13-14,18H,3,8-12H2,1-2H3,(H,19,20)/t13-/m1/s1.
What are the key properties of (2R)-2-(oxan-4-yl)-N-[2-(propylamino)phenyl]propanamide?
(2R)-2-(oxan-4-yl)-N-[2-(propylamino)phenyl]propanamide has a molecular weight of 290.41 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(oxan-4-yl)-N-[2-(propylamino)phenyl]propanamide is sourced from PubChem (CID 99795233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).