2-naphthalen-1-yl-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide

C22H23N3O2 — CID 38175338

IUPAC2-naphthalen-1-yl-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
SMILESCC(C)NC(=O)Nc1ccc(NC(=O)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C22H23N3O2/c1-15(2)23-22(27)25-19-12-10-18(11-13-19)24-21(26)14-17-8-5-7-16-6-3-4-9-20(16)17/h3-13,15H,14H2,1-2H3,(H,24,26)(H2,23,25,27)
InChIKeyRTBZHTQJASOSOR-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.55
Rot. Bonds5

About 2-naphthalen-1-yl-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide

2-naphthalen-1-yl-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide (PubChem CID 38175338) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-naphthalen-1-yl-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-naphthalen-1-yl-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
PubChem CID38175338
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name2-naphthalen-1-yl-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
SMILESCC(C)NC(=O)Nc1ccc(NC(=O)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C22H23N3O2/c1-15(2)23-22(27)25-19-12-10-18(11-13-19)24-21(26)14-17-8-5-7-16-6-3-4-9-20(16)17/h3-13,15H,14H2,1-2H3,(H,24,26)(H2,23,25,27)
InChIKeyRTBZHTQJASOSOR-UHFFFAOYSA-N
XLogP4.55
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-naphthalen-2-yl-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 38196427
2-naphthalen-1-yl-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 1243916
N-methyl-4-[(2-naphthalen-1-ylacetyl)amino]benzamide
CID 8700251
N-(4-butylphenyl)-2-naphthalen-1-ylacetamide
CID 7314094
2-methyl-N-[4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]phenyl]propanamide
CID 17188042
N-[4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]phenyl]propanamide
CID 17205199
3-(2-fluorophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 38196539
N-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2-naphthalen-1-ylacetamide
CID 110930980
3-(2-aminophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide;hydrochloride
CID 120608573
(2S)-N-(4-tert-butylphenyl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide
CID 7610874
3-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide;hydrochloride
CID 119279237
(2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 2088738

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide?
The IUPAC name of 2-naphthalen-1-yl-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide (CID 38175338) is 2-naphthalen-1-yl-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide.
What is the SMILES notation for 2-naphthalen-1-yl-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide?
The canonical SMILES for 2-naphthalen-1-yl-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide is CC(C)NC(=O)Nc1ccc(NC(=O)Cc2cccc3ccccc23)cc1.
What is the InChIKey of 2-naphthalen-1-yl-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide?
The InChIKey is RTBZHTQJASOSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15(2)23-22(27)25-19-12-10-18(11-13-19)24-21(26)14-17-8-5-7-16-6-3-4-9-20(16)17/h3-13,15H,14H2,1-2H3,(H,24,26)(H2,23,25,27).
What are the key properties of 2-naphthalen-1-yl-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide?
2-naphthalen-1-yl-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide has a molecular weight of 361.45 g/mol, XLogP of 4.55, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide is sourced from PubChem (CID 38175338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).