N-[4-hydroxy-3-[(2R,3R)-3-methyl-2-phenylazetidine-1-carbonyl]phenyl]propanamide

C20H22N2O3 — CID 97242926

IUPACN-[4-hydroxy-3-[(2R,3R)-3-methyl-2-phenylazetidine-1-carbonyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(O)c(C(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)c1
InChIInChI=1S/C20H22N2O3/c1-3-18(24)21-15-9-10-17(23)16(11-15)20(25)22-12-13(2)19(22)14-7-5-4-6-8-14/h4-11,13,19,23H,3,12H2,1-2H3,(H,21,24)/t13-,19-/m1/s1
InChIKeyDHFOQQZNAXGGQS-BFUOFWGJSA-N
MW338.41 g/mol
LogP3.57
Rot. Bonds4

About N-[4-hydroxy-3-[(2R,3R)-3-methyl-2-phenylazetidine-1-carbonyl]phenyl]propanamide

N-[4-hydroxy-3-[(2R,3R)-3-methyl-2-phenylazetidine-1-carbonyl]phenyl]propanamide (PubChem CID 97242926) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[4-hydroxy-3-[(2R,3R)-3-methyl-2-phenylazetidine-1-carbonyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-hydroxy-3-[(2R,3R)-3-methyl-2-phenylazetidine-1-carbonyl]phenyl]propanamide
PubChem CID97242926
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-[4-hydroxy-3-[(2R,3R)-3-methyl-2-phenylazetidine-1-carbonyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(O)c(C(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)c1
InChIInChI=1S/C20H22N2O3/c1-3-18(24)21-15-9-10-17(23)16(11-15)20(25)22-12-13(2)19(22)14-7-5-4-6-8-14/h4-11,13,19,23H,3,12H2,1-2H3,(H,21,24)/t13-,19-/m1/s1
InChIKeyDHFOQQZNAXGGQS-BFUOFWGJSA-N
XLogP3.57
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-[4-hydroxy-3-(4-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]propanamide
CID 86892668
N-[[1-[2-hydroxy-5-(propanoylamino)benzoyl]piperidin-3-yl]methyl]benzamide
CID 166184363
N-(4-carbamoyl-3-fluorophenyl)-3-methyl-2-phenylazetidine-1-carboxamide
CID 86799701
N-[4-hydroxy-3-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl]acetamide
CID 97028515
(2R,3S)-N-(cyclopropylmethyl)-3-methyl-2-phenylazetidine-1-carboxamide
CID 99774852
2-(3-methylpiperidin-1-yl)-5-(propanoylamino)benzoic acid
CID 50807477
2-hydroxy-5-[[2-(4-methylpiperidin-1-yl)acetyl]amino]benzoic acid
CID 154746397
2-[3-(3-methyl-2-phenylazetidine-1-carbonyl)phenoxy]acetic acid
CID 119187127
N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
CID 59873074
(2S,3S)-3-methyl-N-(4-methylsulfanylbutyl)-2-phenylazetidine-1-carboxamide
CID 97023950
N-[3-(2-ethylmorpholine-4-carbonyl)-4-hydroxyphenyl]prop-2-enamide
CID 166408627
N-(3,4-diphenylphenyl)propanamide
CID 151136333

Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-3-[(2R,3R)-3-methyl-2-phenylazetidine-1-carbonyl]phenyl]propanamide?
The IUPAC name of N-[4-hydroxy-3-[(2R,3R)-3-methyl-2-phenylazetidine-1-carbonyl]phenyl]propanamide (CID 97242926) is N-[4-hydroxy-3-[(2R,3R)-3-methyl-2-phenylazetidine-1-carbonyl]phenyl]propanamide.
What is the SMILES notation for N-[4-hydroxy-3-[(2R,3R)-3-methyl-2-phenylazetidine-1-carbonyl]phenyl]propanamide?
The canonical SMILES for N-[4-hydroxy-3-[(2R,3R)-3-methyl-2-phenylazetidine-1-carbonyl]phenyl]propanamide is CCC(=O)Nc1ccc(O)c(C(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)c1.
What is the InChIKey of N-[4-hydroxy-3-[(2R,3R)-3-methyl-2-phenylazetidine-1-carbonyl]phenyl]propanamide?
The InChIKey is DHFOQQZNAXGGQS-BFUOFWGJSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-3-18(24)21-15-9-10-17(23)16(11-15)20(25)22-12-13(2)19(22)14-7-5-4-6-8-14/h4-11,13,19,23H,3,12H2,1-2H3,(H,21,24)/t13-,19-/m1/s1.
What are the key properties of N-[4-hydroxy-3-[(2R,3R)-3-methyl-2-phenylazetidine-1-carbonyl]phenyl]propanamide?
N-[4-hydroxy-3-[(2R,3R)-3-methyl-2-phenylazetidine-1-carbonyl]phenyl]propanamide has a molecular weight of 338.41 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-hydroxy-3-[(2R,3R)-3-methyl-2-phenylazetidine-1-carbonyl]phenyl]propanamide is sourced from PubChem (CID 97242926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).