(2R)-N-carbamoyl-2-[3-(furan-2-ylmethoxymethyl)anilino]propanamide

C16H19N3O4 — CID 94643107

IUPAC(2R)-N-carbamoyl-2-[3-(furan-2-ylmethoxymethyl)anilino]propanamide
SMILESC[C@@H](Nc1cccc(COCc2ccco2)c1)C(=O)NC(N)=O
InChIInChI=1S/C16H19N3O4/c1-11(15(20)19-16(17)21)18-13-5-2-4-12(8-13)9-22-10-14-6-3-7-23-14/h2-8,11,18H,9-10H2,1H3,(H3,17,19,20,21)/t11-/m1/s1
InChIKeyGJNICLRRXHQXAN-LLVKDONJSA-N
MW317.35 g/mol
LogP1.99
Rot. Bonds7

About (2R)-N-carbamoyl-2-[3-(furan-2-ylmethoxymethyl)anilino]propanamide

(2R)-N-carbamoyl-2-[3-(furan-2-ylmethoxymethyl)anilino]propanamide (PubChem CID 94643107) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is (2R)-N-carbamoyl-2-[3-(furan-2-ylmethoxymethyl)anilino]propanamide.

Molecular Properties

Compound Name(2R)-N-carbamoyl-2-[3-(furan-2-ylmethoxymethyl)anilino]propanamide
PubChem CID94643107
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name(2R)-N-carbamoyl-2-[3-(furan-2-ylmethoxymethyl)anilino]propanamide
SMILESC[C@@H](Nc1cccc(COCc2ccco2)c1)C(=O)NC(N)=O
InChIInChI=1S/C16H19N3O4/c1-11(15(20)19-16(17)21)18-13-5-2-4-12(8-13)9-22-10-14-6-3-7-23-14/h2-8,11,18H,9-10H2,1H3,(H3,17,19,20,21)/t11-/m1/s1
InChIKeyGJNICLRRXHQXAN-LLVKDONJSA-N
XLogP1.99
TPSA106.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-2-[3-(furan-2-ylmethoxymethyl)anilino]propanamide
CID 60542221
N-[1-[3-(furan-2-ylmethoxymethyl)anilino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 55932538
N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-(methoxymethyl)benzamide
CID 55806662
3-[3-(furan-2-ylmethoxymethyl)phenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea
CID 111754666
1-[2-(diethylamino)propyl]-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea
CID 55819935
3,3,3-trifluoro-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide
CID 47048652
3-(difluoromethoxy)-N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-methoxybenzamide
CID 55806690
1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111431415
N-[3-(furan-2-ylmethoxymethyl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 55806853
1-cyclopropyl-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea
CID 51085460
2-(2,6-dichlorophenyl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]acetamide
CID 52656585
3-fluoro-N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-methoxybenzamide
CID 87006764

Frequently Asked Questions

What is the IUPAC name of (2R)-N-carbamoyl-2-[3-(furan-2-ylmethoxymethyl)anilino]propanamide?
The IUPAC name of (2R)-N-carbamoyl-2-[3-(furan-2-ylmethoxymethyl)anilino]propanamide (CID 94643107) is (2R)-N-carbamoyl-2-[3-(furan-2-ylmethoxymethyl)anilino]propanamide.
What is the SMILES notation for (2R)-N-carbamoyl-2-[3-(furan-2-ylmethoxymethyl)anilino]propanamide?
The canonical SMILES for (2R)-N-carbamoyl-2-[3-(furan-2-ylmethoxymethyl)anilino]propanamide is C[C@@H](Nc1cccc(COCc2ccco2)c1)C(=O)NC(N)=O.
What is the InChIKey of (2R)-N-carbamoyl-2-[3-(furan-2-ylmethoxymethyl)anilino]propanamide?
The InChIKey is GJNICLRRXHQXAN-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-11(15(20)19-16(17)21)18-13-5-2-4-12(8-13)9-22-10-14-6-3-7-23-14/h2-8,11,18H,9-10H2,1H3,(H3,17,19,20,21)/t11-/m1/s1.
What are the key properties of (2R)-N-carbamoyl-2-[3-(furan-2-ylmethoxymethyl)anilino]propanamide?
(2R)-N-carbamoyl-2-[3-(furan-2-ylmethoxymethyl)anilino]propanamide has a molecular weight of 317.35 g/mol, XLogP of 1.99, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-carbamoyl-2-[3-(furan-2-ylmethoxymethyl)anilino]propanamide is sourced from PubChem (CID 94643107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).