(2S)-2-(2-acetamidophenoxy)-N-(furan-2-ylmethyl)propanamide

C16H18N2O4 — CID 9116644

IUPAC(2S)-2-(2-acetamidophenoxy)-N-(furan-2-ylmethyl)propanamide
SMILESCC(=O)Nc1ccccc1O[C@@H](C)C(=O)NCc1ccco1
InChIInChI=1S/C16H18N2O4/c1-11(16(20)17-10-13-6-5-9-21-13)22-15-8-4-3-7-14(15)18-12(2)19/h3-9,11H,10H2,1-2H3,(H,17,20)(H,18,19)/t11-/m0/s1
InChIKeyAQPDGTDVPOGNTC-NSHDSACASA-N
MW302.33 g/mol
LogP2.32
Rot. Bonds6

About (2S)-2-(2-acetamidophenoxy)-N-(furan-2-ylmethyl)propanamide

(2S)-2-(2-acetamidophenoxy)-N-(furan-2-ylmethyl)propanamide (PubChem CID 9116644) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is (2S)-2-(2-acetamidophenoxy)-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2-acetamidophenoxy)-N-(furan-2-ylmethyl)propanamide
PubChem CID9116644
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name(2S)-2-(2-acetamidophenoxy)-N-(furan-2-ylmethyl)propanamide
SMILESCC(=O)Nc1ccccc1O[C@@H](C)C(=O)NCc1ccco1
InChIInChI=1S/C16H18N2O4/c1-11(16(20)17-10-13-6-5-9-21-13)22-15-8-4-3-7-14(15)18-12(2)19/h3-9,11H,10H2,1-2H3,(H,17,20)(H,18,19)/t11-/m0/s1
InChIKeyAQPDGTDVPOGNTC-NSHDSACASA-N
XLogP2.32
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 17173386
(2R)-N-(furan-2-ylmethyl)-2-[(2-propan-2-yloxyphenyl)carbamoylamino]propanamide
CID 95239498
N-(furan-2-ylmethyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108945134
1-[2-(difluoromethoxy)phenyl]-3-(furan-2-ylmethyl)urea
CID 47129823
N-(furan-2-ylmethyl)-2-(2-nitrophenoxy)propanamide
CID 4943832
2-[2-(2-chlorophenoxy)propanoylamino]-N-(furan-2-ylmethyl)benzamide
CID 4932109
(2S)-2-(4-fluorophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 26909573
2-[5-(aminomethyl)-2-methylphenoxy]-N-(furan-2-ylmethyl)propanamide
CID 107655743
N-(furan-2-ylmethyl)-2-quinolin-8-yloxypropanamide
CID 4781245
2-(2-amino-5-chlorophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 62304320
2-(3-chloro-2-cyanophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 114322470
2-(2-bromo-4-methoxyphenoxy)-N-(furan-2-ylmethyl)propanamide
CID 104707302

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-acetamidophenoxy)-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of (2S)-2-(2-acetamidophenoxy)-N-(furan-2-ylmethyl)propanamide (CID 9116644) is (2S)-2-(2-acetamidophenoxy)-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-(2-acetamidophenoxy)-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-(2-acetamidophenoxy)-N-(furan-2-ylmethyl)propanamide is CC(=O)Nc1ccccc1O[C@@H](C)C(=O)NCc1ccco1.
What is the InChIKey of (2S)-2-(2-acetamidophenoxy)-N-(furan-2-ylmethyl)propanamide?
The InChIKey is AQPDGTDVPOGNTC-NSHDSACASA-N. The full InChI is InChI=1S/C16H18N2O4/c1-11(16(20)17-10-13-6-5-9-21-13)22-15-8-4-3-7-14(15)18-12(2)19/h3-9,11H,10H2,1-2H3,(H,17,20)(H,18,19)/t11-/m0/s1.
What are the key properties of (2S)-2-(2-acetamidophenoxy)-N-(furan-2-ylmethyl)propanamide?
(2S)-2-(2-acetamidophenoxy)-N-(furan-2-ylmethyl)propanamide has a molecular weight of 302.33 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-acetamidophenoxy)-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 9116644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).