(2R)-N-(furan-2-ylmethyl)-2-[(2-propan-2-yloxyphenyl)carbamoylamino]propanamide

C18H23N3O4 — CID 95239498

IUPAC(2R)-N-(furan-2-ylmethyl)-2-[(2-propan-2-yloxyphenyl)carbamoylamino]propanamide
SMILESCC(C)Oc1ccccc1NC(=O)N[C@H](C)C(=O)NCc1ccco1
InChIInChI=1S/C18H23N3O4/c1-12(2)25-16-9-5-4-8-15(16)21-18(23)20-13(3)17(22)19-11-14-7-6-10-24-14/h4-10,12-13H,11H2,1-3H3,(H,19,22)(H2,20,21,23)/t13-/m1/s1
InChIKeyHSTCSVGHBIFHBF-CYBMUJFWSA-N
MW345.40 g/mol
LogP2.89
Rot. Bonds7

About (2R)-N-(furan-2-ylmethyl)-2-[(2-propan-2-yloxyphenyl)carbamoylamino]propanamide

(2R)-N-(furan-2-ylmethyl)-2-[(2-propan-2-yloxyphenyl)carbamoylamino]propanamide (PubChem CID 95239498) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is (2R)-N-(furan-2-ylmethyl)-2-[(2-propan-2-yloxyphenyl)carbamoylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-(furan-2-ylmethyl)-2-[(2-propan-2-yloxyphenyl)carbamoylamino]propanamide
PubChem CID95239498
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name(2R)-N-(furan-2-ylmethyl)-2-[(2-propan-2-yloxyphenyl)carbamoylamino]propanamide
SMILESCC(C)Oc1ccccc1NC(=O)N[C@H](C)C(=O)NCc1ccco1
InChIInChI=1S/C18H23N3O4/c1-12(2)25-16-9-5-4-8-15(16)21-18(23)20-13(3)17(22)19-11-14-7-6-10-24-14/h4-10,12-13H,11H2,1-3H3,(H,19,22)(H2,20,21,23)/t13-/m1/s1
InChIKeyHSTCSVGHBIFHBF-CYBMUJFWSA-N
XLogP2.89
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108945134
(2S)-2-(2-acetamidophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 9116644
1-[2-(difluoromethoxy)phenyl]-3-(furan-2-ylmethyl)urea
CID 47129823
(2S)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-(phenylcarbamoylamino)propanamide
CID 94441497
2-(2-fluoroanilino)-N-(furan-2-ylmethyl)propanamide
CID 43088644
6-(furan-2-ylmethylamino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109155336
5-(furan-2-ylmethylamino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109279576
methyl 2-[3-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]carbamoylamino]pyrazol-1-yl]acetate
CID 56793025
N-(furan-2-ylmethyl)-2-[(4-propan-2-yloxyphenyl)methylamino]propanamide
CID 119128983
methyl 2-(furan-2-ylmethylcarbamoylamino)propanoate
CID 4265713
5-(furan-2-ylmethylamino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109231568
N-(furan-2-ylmethyl)-2-(methoxyamino)propanamide
CID 60702583

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(furan-2-ylmethyl)-2-[(2-propan-2-yloxyphenyl)carbamoylamino]propanamide?
The IUPAC name of (2R)-N-(furan-2-ylmethyl)-2-[(2-propan-2-yloxyphenyl)carbamoylamino]propanamide (CID 95239498) is (2R)-N-(furan-2-ylmethyl)-2-[(2-propan-2-yloxyphenyl)carbamoylamino]propanamide.
What is the SMILES notation for (2R)-N-(furan-2-ylmethyl)-2-[(2-propan-2-yloxyphenyl)carbamoylamino]propanamide?
The canonical SMILES for (2R)-N-(furan-2-ylmethyl)-2-[(2-propan-2-yloxyphenyl)carbamoylamino]propanamide is CC(C)Oc1ccccc1NC(=O)N[C@H](C)C(=O)NCc1ccco1.
What is the InChIKey of (2R)-N-(furan-2-ylmethyl)-2-[(2-propan-2-yloxyphenyl)carbamoylamino]propanamide?
The InChIKey is HSTCSVGHBIFHBF-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-12(2)25-16-9-5-4-8-15(16)21-18(23)20-13(3)17(22)19-11-14-7-6-10-24-14/h4-10,12-13H,11H2,1-3H3,(H,19,22)(H2,20,21,23)/t13-/m1/s1.
What are the key properties of (2R)-N-(furan-2-ylmethyl)-2-[(2-propan-2-yloxyphenyl)carbamoylamino]propanamide?
(2R)-N-(furan-2-ylmethyl)-2-[(2-propan-2-yloxyphenyl)carbamoylamino]propanamide has a molecular weight of 345.40 g/mol, XLogP of 2.89, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(furan-2-ylmethyl)-2-[(2-propan-2-yloxyphenyl)carbamoylamino]propanamide is sourced from PubChem (CID 95239498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).