N-[(3-methoxyphenyl)methyl]-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide

C22H28N2O3 — CID 69415368

IUPACN-[(3-methoxyphenyl)methyl]-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide
SMILESCOc1cccc(CN(C[C@H]2CCCN2)C(=O)C(C)Oc2ccccc2)c1
InChIInChI=1S/C22H28N2O3/c1-17(27-20-10-4-3-5-11-20)22(25)24(16-19-9-7-13-23-19)15-18-8-6-12-21(14-18)26-2/h3-6,8,10-12,14,17,19,23H,7,9,13,15-16H2,1-2H3/t17?,19-/m1/s1
InChIKeyZJDIHHAPIASDIQ-WHCXFUJUSA-N
MW368.48 g/mol
LogP3.24
Rot. Bonds8

About N-[(3-methoxyphenyl)methyl]-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide

N-[(3-methoxyphenyl)methyl]-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide (PubChem CID 69415368) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide
PubChem CID69415368
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-[(3-methoxyphenyl)methyl]-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide
SMILESCOc1cccc(CN(C[C@H]2CCCN2)C(=O)C(C)Oc2ccccc2)c1
InChIInChI=1S/C22H28N2O3/c1-17(27-20-10-4-3-5-11-20)22(25)24(16-19-9-7-13-23-19)15-18-8-6-12-21(14-18)26-2/h3-6,8,10-12,14,17,19,23H,7,9,13,15-16H2,1-2H3/t17?,19-/m1/s1
InChIKeyZJDIHHAPIASDIQ-WHCXFUJUSA-N
XLogP3.24
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxyphenyl)methyl]-2-phenoxy-N-(pyrrolidin-2-ylmethyl)propanamide
CID 21097393
benzyl-[[(2R)-pyrrolidin-2-yl]methyl]carbamic acid
CID 66658800
benzyl-[[(2S)-pyrrolidin-2-yl]methyl]carbamic acid
CID 66658752
N-benzyl-2,2,2-trifluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide
CID 89362918
(2R)-2-amino-N-[(3-methoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 124591748
N-(3-methoxyphenyl)-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide
CID 44579998
2-[benzyl-[2-(4-methoxyphenoxy)propanoyl]amino]acetic acid
CID 119196968
3-methoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607691
N-[(3-propoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106602830
N-[1-(3-methoxyphenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603171
N-benzyl-N-ethyl-2-[(3-methoxyphenyl)methoxy]propanamide
CID 86985438
N,N-diethyl-2-(3-methoxyphenoxy)propanamide
CID 19203980

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide (CID 69415368) is N-[(3-methoxyphenyl)methyl]-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide is COc1cccc(CN(C[C@H]2CCCN2)C(=O)C(C)Oc2ccccc2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide?
The InChIKey is ZJDIHHAPIASDIQ-WHCXFUJUSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-17(27-20-10-4-3-5-11-20)22(25)24(16-19-9-7-13-23-19)15-18-8-6-12-21(14-18)26-2/h3-6,8,10-12,14,17,19,23H,7,9,13,15-16H2,1-2H3/t17?,19-/m1/s1.
What are the key properties of N-[(3-methoxyphenyl)methyl]-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide?
N-[(3-methoxyphenyl)methyl]-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide has a molecular weight of 368.48 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide is sourced from PubChem (CID 69415368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).