N-naphthalen-1-yl-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide

C23H23N3O2 — CID 54835242

IUPACN-naphthalen-1-yl-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
SMILESO=C(CNc1ccc(C(=O)N2CCCC2)cc1)Nc1cccc2ccccc12
InChIInChI=1S/C23H23N3O2/c27-22(25-21-9-5-7-17-6-1-2-8-20(17)21)16-24-19-12-10-18(11-13-19)23(28)26-14-3-4-15-26/h1-2,5-13,24H,3-4,14-16H2,(H,25,27)
InChIKeyWOBROFTYPQUBPX-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.13
Rot. Bonds5

About N-naphthalen-1-yl-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide

N-naphthalen-1-yl-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide (PubChem CID 54835242) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-naphthalen-1-yl-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
PubChem CID54835242
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC NameN-naphthalen-1-yl-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
SMILESO=C(CNc1ccc(C(=O)N2CCCC2)cc1)Nc1cccc2ccccc12
InChIInChI=1S/C23H23N3O2/c27-22(25-21-9-5-7-17-6-1-2-8-20(17)21)16-24-19-12-10-18(11-13-19)23(28)26-14-3-4-15-26/h1-2,5-13,24H,3-4,14-16H2,(H,25,27)
InChIKeyWOBROFTYPQUBPX-UHFFFAOYSA-N
XLogP4.13
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54834057
N-(2,3-dimethylphenyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841651
N-[2-methyl-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54833905
2-[4-(azepane-1-carbonyl)anilino]-N-(2,3-dichlorophenyl)acetamide
CID 54834934
N-[3-[[2-[4-(azepane-1-carbonyl)anilino]acetyl]amino]-2-methylphenyl]propanamide
CID 54834973
2-anilino-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119702402
N-[3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide
CID 54834226
2-anilino-N-naphthalen-1-ylacetamide
CID 767556
N-(2-propan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54834093
N-[2-methyl-3-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]cyclopropanecarboxamide
CID 54841571
2-[4-(azepane-1-carbonyl)anilino]-N-(2-ethoxyphenyl)acetamide
CID 54835054
N-[4-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54836878

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide?
The IUPAC name of N-naphthalen-1-yl-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide (CID 54835242) is N-naphthalen-1-yl-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide.
What is the SMILES notation for N-naphthalen-1-yl-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide?
The canonical SMILES for N-naphthalen-1-yl-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide is O=C(CNc1ccc(C(=O)N2CCCC2)cc1)Nc1cccc2ccccc12.
What is the InChIKey of N-naphthalen-1-yl-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide?
The InChIKey is WOBROFTYPQUBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c27-22(25-21-9-5-7-17-6-1-2-8-20(17)21)16-24-19-12-10-18(11-13-19)23(28)26-14-3-4-15-26/h1-2,5-13,24H,3-4,14-16H2,(H,25,27).
What are the key properties of N-naphthalen-1-yl-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide?
N-naphthalen-1-yl-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide has a molecular weight of 373.46 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide is sourced from PubChem (CID 54835242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).