(4R)-N-[(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2-oxoimidazolidine-4-carboxamide

C16H19N3O4 — CID 97079177

IUPAC(4R)-N-[(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NC[C@H](C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)N1
InChIInChI=1S/C16H19N3O4/c20-15(11-8-17-16(21)18-11)19-14(9-1-2-9)10-3-4-12-13(7-10)23-6-5-22-12/h3-4,7,9,11,14H,1-2,5-6,8H2,(H,19,20)(H2,17,18,21)/t11-,14-/m1/s1
InChIKeyJCNSVDACXSMTCM-BXUZGUMPSA-N
MW317.35 g/mol
LogP0.71
Rot. Bonds4

About (4R)-N-[(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2-oxoimidazolidine-4-carboxamide

(4R)-N-[(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 97079177) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is (4R)-N-[(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-[(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID97079177
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name(4R)-N-[(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NC[C@H](C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)N1
InChIInChI=1S/C16H19N3O4/c20-15(11-8-17-16(21)18-11)19-14(9-1-2-9)10-3-4-12-13(7-10)23-6-5-22-12/h3-4,7,9,11,14H,1-2,5-6,8H2,(H,19,20)(H2,17,18,21)/t11-,14-/m1/s1
InChIKeyJCNSVDACXSMTCM-BXUZGUMPSA-N
XLogP0.71
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (4R)-N-[(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2-oxoimidazolidine-4-carboxamide with MolForge

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Related Compounds

(4R)-N-[(R)-cyclopentyl(phenyl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 97081118
(2S)-N-[(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2-methylbutanamide
CID 94798479
1-benzhydryl-3-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]urea
CID 60542651
N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-4-propan-2-ylbenzamide
CID 55919900
2-(2-chlorophenyl)-N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]cyclopropane-1-carboxamide
CID 55921576
4-[[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
CID 119182242
N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 55921311
cis-(1S,2R)-N-[(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 95238057
N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 55923131
2-chloro-N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-5-nitrobenzamide
CID 60549081
1-[(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-(3-fluorophenyl)urea
CID 94652322
(3R)-1-N-[(S)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]pyrrolidine-1,3-dicarboxamide
CID 94651536

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4R)-N-[(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2-oxoimidazolidine-4-carboxamide (CID 97079177) is (4R)-N-[(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-[(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4R)-N-[(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2-oxoimidazolidine-4-carboxamide is O=C1NC[C@H](C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)N1.
What is the InChIKey of (4R)-N-[(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is JCNSVDACXSMTCM-BXUZGUMPSA-N. The full InChI is InChI=1S/C16H19N3O4/c20-15(11-8-17-16(21)18-11)19-14(9-1-2-9)10-3-4-12-13(7-10)23-6-5-22-12/h3-4,7,9,11,14H,1-2,5-6,8H2,(H,19,20)(H2,17,18,21)/t11-,14-/m1/s1.
What are the key properties of (4R)-N-[(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2-oxoimidazolidine-4-carboxamide?
(4R)-N-[(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 97079177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).