(3R)-3-[(2-amino-4-phenylbutyl)amino]-1-(4-methylphenyl)azetidin-2-one

C20H25N3O — CID 175298571

IUPAC(3R)-3-[(2-amino-4-phenylbutyl)amino]-1-(4-methylphenyl)azetidin-2-one
SMILESCc1ccc(N2C[C@@H](NCC(N)CCc3ccccc3)C2=O)cc1
InChIInChI=1S/C20H25N3O/c1-15-7-11-18(12-8-15)23-14-19(20(23)24)22-13-17(21)10-9-16-5-3-2-4-6-16/h2-8,11-12,17,19,22H,9-10,13-14,21H2,1H3/t17?,19-/m1/s1
InChIKeyRJNSAHPYBMASGR-WHCXFUJUSA-N
MW323.44 g/mol
LogP2.26
Rot. Bonds7

About (3R)-3-[(2-amino-4-phenylbutyl)amino]-1-(4-methylphenyl)azetidin-2-one

(3R)-3-[(2-amino-4-phenylbutyl)amino]-1-(4-methylphenyl)azetidin-2-one (PubChem CID 175298571) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is (3R)-3-[(2-amino-4-phenylbutyl)amino]-1-(4-methylphenyl)azetidin-2-one.

Molecular Properties

Compound Name(3R)-3-[(2-amino-4-phenylbutyl)amino]-1-(4-methylphenyl)azetidin-2-one
PubChem CID175298571
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name(3R)-3-[(2-amino-4-phenylbutyl)amino]-1-(4-methylphenyl)azetidin-2-one
SMILESCc1ccc(N2C[C@@H](NCC(N)CCc3ccccc3)C2=O)cc1
InChIInChI=1S/C20H25N3O/c1-15-7-11-18(12-8-15)23-14-19(20(23)24)22-13-17(21)10-9-16-5-3-2-4-6-16/h2-8,11-12,17,19,22H,9-10,13-14,21H2,1H3/t17?,19-/m1/s1
InChIKeyRJNSAHPYBMASGR-WHCXFUJUSA-N
XLogP2.26
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2-amino-4-phenylbutyl)amino]-1-(4-methylphenyl)azetidin-2-one?
The IUPAC name of (3R)-3-[(2-amino-4-phenylbutyl)amino]-1-(4-methylphenyl)azetidin-2-one (CID 175298571) is (3R)-3-[(2-amino-4-phenylbutyl)amino]-1-(4-methylphenyl)azetidin-2-one.
What is the SMILES notation for (3R)-3-[(2-amino-4-phenylbutyl)amino]-1-(4-methylphenyl)azetidin-2-one?
The canonical SMILES for (3R)-3-[(2-amino-4-phenylbutyl)amino]-1-(4-methylphenyl)azetidin-2-one is Cc1ccc(N2C[C@@H](NCC(N)CCc3ccccc3)C2=O)cc1.
What is the InChIKey of (3R)-3-[(2-amino-4-phenylbutyl)amino]-1-(4-methylphenyl)azetidin-2-one?
The InChIKey is RJNSAHPYBMASGR-WHCXFUJUSA-N. The full InChI is InChI=1S/C20H25N3O/c1-15-7-11-18(12-8-15)23-14-19(20(23)24)22-13-17(21)10-9-16-5-3-2-4-6-16/h2-8,11-12,17,19,22H,9-10,13-14,21H2,1H3/t17?,19-/m1/s1.
What are the key properties of (3R)-3-[(2-amino-4-phenylbutyl)amino]-1-(4-methylphenyl)azetidin-2-one?
(3R)-3-[(2-amino-4-phenylbutyl)amino]-1-(4-methylphenyl)azetidin-2-one has a molecular weight of 323.44 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2-amino-4-phenylbutyl)amino]-1-(4-methylphenyl)azetidin-2-one is sourced from PubChem (CID 175298571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).