(2R)-N-carbamoyl-2-(dibenzofuran-2-ylamino)propanamide

C16H15N3O3 — CID 40954212

IUPAC(2R)-N-carbamoyl-2-(dibenzofuran-2-ylamino)propanamide
SMILESC[C@@H](Nc1ccc2oc3ccccc3c2c1)C(=O)NC(N)=O
InChIInChI=1S/C16H15N3O3/c1-9(15(20)19-16(17)21)18-10-6-7-14-12(8-10)11-4-2-3-5-13(11)22-14/h2-9,18H,1H3,(H3,17,19,20,21)/t9-/m1/s1
InChIKeyVMQDXPVOQPAQNZ-SECBINFHSA-N
MW297.31 g/mol
LogP2.58
Rot. Bonds3

About (2R)-N-carbamoyl-2-(dibenzofuran-2-ylamino)propanamide

(2R)-N-carbamoyl-2-(dibenzofuran-2-ylamino)propanamide (PubChem CID 40954212) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is (2R)-N-carbamoyl-2-(dibenzofuran-2-ylamino)propanamide.

Molecular Properties

Compound Name(2R)-N-carbamoyl-2-(dibenzofuran-2-ylamino)propanamide
PubChem CID40954212
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name(2R)-N-carbamoyl-2-(dibenzofuran-2-ylamino)propanamide
SMILESC[C@@H](Nc1ccc2oc3ccccc3c2c1)C(=O)NC(N)=O
InChIInChI=1S/C16H15N3O3/c1-9(15(20)19-16(17)21)18-10-6-7-14-12(8-10)11-4-2-3-5-13(11)22-14/h2-9,18H,1H3,(H3,17,19,20,21)/t9-/m1/s1
InChIKeyVMQDXPVOQPAQNZ-SECBINFHSA-N
XLogP2.58
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-carbamoyl-2-(dibenzofuran-2-ylamino)propanamide?
The IUPAC name of (2R)-N-carbamoyl-2-(dibenzofuran-2-ylamino)propanamide (CID 40954212) is (2R)-N-carbamoyl-2-(dibenzofuran-2-ylamino)propanamide.
What is the SMILES notation for (2R)-N-carbamoyl-2-(dibenzofuran-2-ylamino)propanamide?
The canonical SMILES for (2R)-N-carbamoyl-2-(dibenzofuran-2-ylamino)propanamide is C[C@@H](Nc1ccc2oc3ccccc3c2c1)C(=O)NC(N)=O.
What is the InChIKey of (2R)-N-carbamoyl-2-(dibenzofuran-2-ylamino)propanamide?
The InChIKey is VMQDXPVOQPAQNZ-SECBINFHSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-9(15(20)19-16(17)21)18-10-6-7-14-12(8-10)11-4-2-3-5-13(11)22-14/h2-9,18H,1H3,(H3,17,19,20,21)/t9-/m1/s1.
What are the key properties of (2R)-N-carbamoyl-2-(dibenzofuran-2-ylamino)propanamide?
(2R)-N-carbamoyl-2-(dibenzofuran-2-ylamino)propanamide has a molecular weight of 297.31 g/mol, XLogP of 2.58, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-carbamoyl-2-(dibenzofuran-2-ylamino)propanamide is sourced from PubChem (CID 40954212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).