methyl N-[4-(2-naphthalen-1-yloxypropanoylamino)phenyl]carbamate

C21H20N2O4 — CID 119049617

IUPACmethyl N-[4-(2-naphthalen-1-yloxypropanoylamino)phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NC(=O)C(C)Oc2cccc3ccccc23)cc1
InChIInChI=1S/C21H20N2O4/c1-14(27-19-9-5-7-15-6-3-4-8-18(15)19)20(24)22-16-10-12-17(13-11-16)23-21(25)26-2/h3-14H,1-2H3,(H,22,24)(H,23,25)
InChIKeyOTFTYZZRQBBZQV-UHFFFAOYSA-N
MW364.40 g/mol
LogP4.42
Rot. Bonds5

About methyl N-[4-(2-naphthalen-1-yloxypropanoylamino)phenyl]carbamate

methyl N-[4-(2-naphthalen-1-yloxypropanoylamino)phenyl]carbamate (PubChem CID 119049617) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is methyl N-[4-(2-naphthalen-1-yloxypropanoylamino)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(2-naphthalen-1-yloxypropanoylamino)phenyl]carbamate
PubChem CID119049617
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Namemethyl N-[4-(2-naphthalen-1-yloxypropanoylamino)phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NC(=O)C(C)Oc2cccc3ccccc23)cc1
InChIInChI=1S/C21H20N2O4/c1-14(27-19-9-5-7-15-6-3-4-8-18(15)19)20(24)22-16-10-12-17(13-11-16)23-21(25)26-2/h3-14H,1-2H3,(H,22,24)(H,23,25)
InChIKeyOTFTYZZRQBBZQV-UHFFFAOYSA-N
XLogP4.42
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-naphthalen-1-yloxypropanamide
CID 124736764
(2R)-N-[3-(methoxymethyl)phenyl]-2-naphthalen-1-yloxypropanamide
CID 99840317
N-(4-acetamidophenyl)-2-(2-methoxyphenoxy)propanamide
CID 2907980
N-(7-methoxyquinolin-3-yl)-2-naphthalen-1-yloxypropanamide
CID 110279383
N-[4-[2-(2-methoxyphenoxy)propanoylamino]phenyl]-2-methylpropanamide
CID 17187934
2-naphthalen-1-yloxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)propanamide
CID 133244800
2-(2-methoxyphenoxy)-N-[4-[[4-[2-(2-methoxyphenoxy)propanoylamino]phenyl]methyl]phenyl]propanamide
CID 4943540
2-naphthalen-1-yloxy-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 67473155
(2S)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-naphthalen-1-yloxypropanamide
CID 100543359
(2S)-2-naphthalen-1-yloxy-N-(2-nitrophenyl)propanamide
CID 7851042
(2S)-2-naphthalen-1-yloxypropanoyl chloride
CID 51980355
(2R)-2-naphthalen-1-yloxypropanoyl chloride
CID 51980356

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(2-naphthalen-1-yloxypropanoylamino)phenyl]carbamate?
The IUPAC name of methyl N-[4-(2-naphthalen-1-yloxypropanoylamino)phenyl]carbamate (CID 119049617) is methyl N-[4-(2-naphthalen-1-yloxypropanoylamino)phenyl]carbamate.
What is the SMILES notation for methyl N-[4-(2-naphthalen-1-yloxypropanoylamino)phenyl]carbamate?
The canonical SMILES for methyl N-[4-(2-naphthalen-1-yloxypropanoylamino)phenyl]carbamate is COC(=O)Nc1ccc(NC(=O)C(C)Oc2cccc3ccccc23)cc1.
What is the InChIKey of methyl N-[4-(2-naphthalen-1-yloxypropanoylamino)phenyl]carbamate?
The InChIKey is OTFTYZZRQBBZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-14(27-19-9-5-7-15-6-3-4-8-18(15)19)20(24)22-16-10-12-17(13-11-16)23-21(25)26-2/h3-14H,1-2H3,(H,22,24)(H,23,25).
What are the key properties of methyl N-[4-(2-naphthalen-1-yloxypropanoylamino)phenyl]carbamate?
methyl N-[4-(2-naphthalen-1-yloxypropanoylamino)phenyl]carbamate has a molecular weight of 364.40 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(2-naphthalen-1-yloxypropanoylamino)phenyl]carbamate is sourced from PubChem (CID 119049617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).