2-[(4-methoxyphenyl)methylamino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide

C21H25N3O3 — CID 54837855

IUPAC2-[(4-methoxyphenyl)methylamino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCOc1ccc(CNCC(=O)Nc2cccc(C(=O)N3CCCC3)c2)cc1
InChIInChI=1S/C21H25N3O3/c1-27-19-9-7-16(8-10-19)14-22-15-20(25)23-18-6-4-5-17(13-18)21(26)24-11-2-3-12-24/h4-10,13,22H,2-3,11-12,14-15H2,1H3,(H,23,25)
InChIKeyVJNNBAAKRRFUBO-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.66
Rot. Bonds7

About 2-[(4-methoxyphenyl)methylamino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide

2-[(4-methoxyphenyl)methylamino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide (PubChem CID 54837855) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methylamino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methylamino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
PubChem CID54837855
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name2-[(4-methoxyphenyl)methylamino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCOc1ccc(CNCC(=O)Nc2cccc(C(=O)N3CCCC3)c2)cc1
InChIInChI=1S/C21H25N3O3/c1-27-19-9-7-16(8-10-19)14-22-15-20(25)23-18-6-4-5-17(13-18)21(26)24-11-2-3-12-24/h4-10,13,22H,2-3,11-12,14-15H2,1H3,(H,23,25)
InChIKeyVJNNBAAKRRFUBO-UHFFFAOYSA-N
XLogP2.66
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxyphenyl)methylamino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54837978
2-(4-methoxyanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54812026
N-(3-methoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 34085005
N-(3,5-dimethoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 34085577
N-[(4-methoxyphenyl)methyl]-3-(piperidine-1-carbonyl)benzamide
CID 109051992
2-(3-methoxypropylamino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54828810
2-(methylamino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119740126
3-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54837826
2-(benzylamino)-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 54813737
N-[3-(azepane-1-carbonyl)phenyl]-2-(4-ethylphenoxy)acetamide
CID 26159338
2-[(4-methoxyphenyl)methylamino]-N-(3-propan-2-yloxyphenyl)acetamide
CID 54837882
N-(2,5-dimethoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 34085528

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methylamino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-[(4-methoxyphenyl)methylamino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide (CID 54837855) is 2-[(4-methoxyphenyl)methylamino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)methylamino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-[(4-methoxyphenyl)methylamino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide is COc1ccc(CNCC(=O)Nc2cccc(C(=O)N3CCCC3)c2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methylamino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The InChIKey is VJNNBAAKRRFUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-27-19-9-7-16(8-10-19)14-22-15-20(25)23-18-6-4-5-17(13-18)21(26)24-11-2-3-12-24/h4-10,13,22H,2-3,11-12,14-15H2,1H3,(H,23,25).
What are the key properties of 2-[(4-methoxyphenyl)methylamino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide?
2-[(4-methoxyphenyl)methylamino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide has a molecular weight of 367.45 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methylamino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 54837855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).