(2R,3R,4R)-2-(acetamidomethyl)-4-(hydroxymethyl)-3-phenyl-N-propylazetidine-1-carboxamide

C17H25N3O3 — CID 54651898

IUPAC(2R,3R,4R)-2-(acetamidomethyl)-4-(hydroxymethyl)-3-phenyl-N-propylazetidine-1-carboxamide
SMILESCCCNC(=O)N1[C@@H](CO)[C@H](c2ccccc2)[C@@H]1CNC(C)=O
InChIInChI=1S/C17H25N3O3/c1-3-9-18-17(23)20-14(10-19-12(2)22)16(15(20)11-21)13-7-5-4-6-8-13/h4-8,14-16,21H,3,9-11H2,1-2H3,(H,18,23)(H,19,22)/t14-,15-,16+/m0/s1
InChIKeyZTAAKBLSOSODMQ-HRCADAONSA-N
MW319.41 g/mol
LogP1.07
Rot. Bonds6

About (2R,3R,4R)-2-(acetamidomethyl)-4-(hydroxymethyl)-3-phenyl-N-propylazetidine-1-carboxamide

(2R,3R,4R)-2-(acetamidomethyl)-4-(hydroxymethyl)-3-phenyl-N-propylazetidine-1-carboxamide (PubChem CID 54651898) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is (2R,3R,4R)-2-(acetamidomethyl)-4-(hydroxymethyl)-3-phenyl-N-propylazetidine-1-carboxamide.

Molecular Properties

Compound Name(2R,3R,4R)-2-(acetamidomethyl)-4-(hydroxymethyl)-3-phenyl-N-propylazetidine-1-carboxamide
PubChem CID54651898
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name(2R,3R,4R)-2-(acetamidomethyl)-4-(hydroxymethyl)-3-phenyl-N-propylazetidine-1-carboxamide
SMILESCCCNC(=O)N1[C@@H](CO)[C@H](c2ccccc2)[C@@H]1CNC(C)=O
InChIInChI=1S/C17H25N3O3/c1-3-9-18-17(23)20-14(10-19-12(2)22)16(15(20)11-21)13-7-5-4-6-8-13/h4-8,14-16,21H,3,9-11H2,1-2H3,(H,18,23)(H,19,22)/t14-,15-,16+/m0/s1
InChIKeyZTAAKBLSOSODMQ-HRCADAONSA-N
XLogP1.07
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-2-(acetamidomethyl)-4-(hydroxymethyl)-3-phenyl-N-propylazetidine-1-carboxamide?
The IUPAC name of (2R,3R,4R)-2-(acetamidomethyl)-4-(hydroxymethyl)-3-phenyl-N-propylazetidine-1-carboxamide (CID 54651898) is (2R,3R,4R)-2-(acetamidomethyl)-4-(hydroxymethyl)-3-phenyl-N-propylazetidine-1-carboxamide.
What is the SMILES notation for (2R,3R,4R)-2-(acetamidomethyl)-4-(hydroxymethyl)-3-phenyl-N-propylazetidine-1-carboxamide?
The canonical SMILES for (2R,3R,4R)-2-(acetamidomethyl)-4-(hydroxymethyl)-3-phenyl-N-propylazetidine-1-carboxamide is CCCNC(=O)N1[C@@H](CO)[C@H](c2ccccc2)[C@@H]1CNC(C)=O.
What is the InChIKey of (2R,3R,4R)-2-(acetamidomethyl)-4-(hydroxymethyl)-3-phenyl-N-propylazetidine-1-carboxamide?
The InChIKey is ZTAAKBLSOSODMQ-HRCADAONSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-3-9-18-17(23)20-14(10-19-12(2)22)16(15(20)11-21)13-7-5-4-6-8-13/h4-8,14-16,21H,3,9-11H2,1-2H3,(H,18,23)(H,19,22)/t14-,15-,16+/m0/s1.
What are the key properties of (2R,3R,4R)-2-(acetamidomethyl)-4-(hydroxymethyl)-3-phenyl-N-propylazetidine-1-carboxamide?
(2R,3R,4R)-2-(acetamidomethyl)-4-(hydroxymethyl)-3-phenyl-N-propylazetidine-1-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 1.07, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-2-(acetamidomethyl)-4-(hydroxymethyl)-3-phenyl-N-propylazetidine-1-carboxamide is sourced from PubChem (CID 54651898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).