2-[(2-naphthalen-1-ylacetyl)amino]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide

C27H31N3O2 — CID 43005218

IUPAC2-[(2-naphthalen-1-ylacetyl)amino]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
SMILESCC(NC(=O)Cc1cccc2ccccc12)C(=O)NCC(c1ccccc1)N1CCCC1
InChIInChI=1S/C27H31N3O2/c1-20(29-26(31)18-23-14-9-13-21-10-5-6-15-24(21)23)27(32)28-19-25(30-16-7-8-17-30)22-11-3-2-4-12-22/h2-6,9-15,20,25H,7-8,16-19H2,1H3,(H,28,32)(H,29,31)
InChIKeySTXUYIGNDSGQQP-UHFFFAOYSA-N
MW429.56 g/mol
LogP3.84
Rot. Bonds8

About 2-[(2-naphthalen-1-ylacetyl)amino]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide

2-[(2-naphthalen-1-ylacetyl)amino]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide (PubChem CID 43005218) has the molecular formula C27H31N3O2 and a molecular weight of 429.56 g/mol. Its IUPAC name is 2-[(2-naphthalen-1-ylacetyl)amino]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide.

Molecular Properties

Compound Name2-[(2-naphthalen-1-ylacetyl)amino]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
PubChem CID43005218
Molecular FormulaC27H31N3O2
Molecular Weight429.56 g/mol
Exact Mass429.24
IUPAC Name2-[(2-naphthalen-1-ylacetyl)amino]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
SMILESCC(NC(=O)Cc1cccc2ccccc12)C(=O)NCC(c1ccccc1)N1CCCC1
InChIInChI=1S/C27H31N3O2/c1-20(29-26(31)18-23-14-9-13-21-10-5-6-15-24(21)23)27(32)28-19-25(30-16-7-8-17-30)22-11-3-2-4-12-22/h2-6,9-15,20,25H,7-8,16-19H2,1H3,(H,28,32)(H,29,31)
InChIKeySTXUYIGNDSGQQP-UHFFFAOYSA-N
XLogP3.84
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[(2-phenylacetyl)amino]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide
CID 55336268
(2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 2088738
N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-naphthalen-1-ylacetamide
CID 35043919
(2S)-2-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide;dihydrochloride
CID 119831434
2-naphthalen-1-yl-N-[(1S)-1-phenylethyl]acetamide
CID 1225206
2,2-difluoro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 103514779
(2S)-2-[(2-naphthalen-1-ylacetyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
CID 30482285
N-[2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-2-naphthalen-1-ylacetamide
CID 18564930
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-(propan-2-ylamino)acetamide
CID 61249970
1-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-naphthalen-1-ylurea
CID 17460329
2-amino-2-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 119831373
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2-naphthalen-1-ylacetamide
CID 7496868

Frequently Asked Questions

What is the IUPAC name of 2-[(2-naphthalen-1-ylacetyl)amino]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide?
The IUPAC name of 2-[(2-naphthalen-1-ylacetyl)amino]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide (CID 43005218) is 2-[(2-naphthalen-1-ylacetyl)amino]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide.
What is the SMILES notation for 2-[(2-naphthalen-1-ylacetyl)amino]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide?
The canonical SMILES for 2-[(2-naphthalen-1-ylacetyl)amino]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide is CC(NC(=O)Cc1cccc2ccccc12)C(=O)NCC(c1ccccc1)N1CCCC1.
What is the InChIKey of 2-[(2-naphthalen-1-ylacetyl)amino]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide?
The InChIKey is STXUYIGNDSGQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O2/c1-20(29-26(31)18-23-14-9-13-21-10-5-6-15-24(21)23)27(32)28-19-25(30-16-7-8-17-30)22-11-3-2-4-12-22/h2-6,9-15,20,25H,7-8,16-19H2,1H3,(H,28,32)(H,29,31).
What are the key properties of 2-[(2-naphthalen-1-ylacetyl)amino]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide?
2-[(2-naphthalen-1-ylacetyl)amino]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide has a molecular weight of 429.56 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-naphthalen-1-ylacetyl)amino]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide is sourced from PubChem (CID 43005218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).