N-(4-acetamidophenyl)-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide

C22H27N3O3 — CID 44580031

IUPACN-(4-acetamidophenyl)-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide
SMILESCC(=O)Nc1ccc(N(C[C@H]2CCCN2)C(=O)C(C)Oc2ccccc2)cc1
InChIInChI=1S/C22H27N3O3/c1-16(28-21-8-4-3-5-9-21)22(27)25(15-19-7-6-14-23-19)20-12-10-18(11-13-20)24-17(2)26/h3-5,8-13,16,19,23H,6-7,14-15H2,1-2H3,(H,24,26)/t16?,19-/m1/s1
InChIKeyORIFITDVRDUTPN-LRTDYKAYSA-N
MW381.48 g/mol
LogP3.20
Rot. Bonds7

About N-(4-acetamidophenyl)-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide

N-(4-acetamidophenyl)-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide (PubChem CID 44580031) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide
PubChem CID44580031
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-(4-acetamidophenyl)-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide
SMILESCC(=O)Nc1ccc(N(C[C@H]2CCCN2)C(=O)C(C)Oc2ccccc2)cc1
InChIInChI=1S/C22H27N3O3/c1-16(28-21-8-4-3-5-9-21)22(27)25(15-19-7-6-14-23-19)20-12-10-18(11-13-20)24-17(2)26/h3-5,8-13,16,19,23H,6-7,14-15H2,1-2H3,(H,24,26)/t16?,19-/m1/s1
InChIKeyORIFITDVRDUTPN-LRTDYKAYSA-N
XLogP3.20
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Propetamide
CID 68937
Phenoxyacetanilide
CID 264248
Ucm 765
CID 24749950
Acetamide, 2-oxo-2-(1-pyrrolidinyl)-N-(2-methoxyphenyl)-
CID 550974
N-(4-phenoxyphenyl)tetrahydro-2-furancarboxamide
CID 2862126
2-(4-methoxyphenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 3160214
N-propyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 31092
N1-Methyl-N3-phenyl-N3-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-propane-1,3-diamine
CID 49836198
N-(2-ethoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 893575
N-[4-(dimethylamino)phenyl]-N'-(2-phenoxyethyl)ethanediamide
CID 2248970
2-(4-acetamidophenoxy)-N-(2-phenylethyl)acetamide
CID 2450951
1-[4-[2-(Benzylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 2957197

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide?
The IUPAC name of N-(4-acetamidophenyl)-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide (CID 44580031) is N-(4-acetamidophenyl)-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide is CC(=O)Nc1ccc(N(C[C@H]2CCCN2)C(=O)C(C)Oc2ccccc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide?
The InChIKey is ORIFITDVRDUTPN-LRTDYKAYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-16(28-21-8-4-3-5-9-21)22(27)25(15-19-7-6-14-23-19)20-12-10-18(11-13-20)24-17(2)26/h3-5,8-13,16,19,23H,6-7,14-15H2,1-2H3,(H,24,26)/t16?,19-/m1/s1.
What are the key properties of N-(4-acetamidophenyl)-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide?
N-(4-acetamidophenyl)-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide has a molecular weight of 381.48 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide is sourced from PubChem (CID 44580031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).