butyl N-[1-[[4-methyl-3-[(1-naphthalen-1-ylcyclopropyl)carbamoyl]phenoxy]methyl]cyclopropyl]carbamate

C30H34N2O4 — CID 175879195

IUPACbutyl N-[1-[[4-methyl-3-[(1-naphthalen-1-ylcyclopropyl)carbamoyl]phenoxy]methyl]cyclopropyl]carbamate
SMILESCCCCOC(=O)NC1(COc2ccc(C)c(C(=O)NC3(c4cccc5ccccc45)CC3)c2)CC1
InChIInChI=1S/C30H34N2O4/c1-3-4-18-35-28(34)32-29(14-15-29)20-36-23-13-12-21(2)25(19-23)27(33)31-30(16-17-30)26-11-7-9-22-8-5-6-10-24(22)26/h5-13,19H,3-4,14-18,20H2,1-2H3,(H,31,33)(H,32,34)
InChIKeyCOCFPIBRESLUSS-UHFFFAOYSA-N
MW486.61 g/mol
LogP6.01
Rot. Bonds10

About butyl N-[1-[[4-methyl-3-[(1-naphthalen-1-ylcyclopropyl)carbamoyl]phenoxy]methyl]cyclopropyl]carbamate

butyl N-[1-[[4-methyl-3-[(1-naphthalen-1-ylcyclopropyl)carbamoyl]phenoxy]methyl]cyclopropyl]carbamate (PubChem CID 175879195) has the molecular formula C30H34N2O4 and a molecular weight of 486.61 g/mol. Its IUPAC name is butyl N-[1-[[4-methyl-3-[(1-naphthalen-1-ylcyclopropyl)carbamoyl]phenoxy]methyl]cyclopropyl]carbamate.

Molecular Properties

Compound Namebutyl N-[1-[[4-methyl-3-[(1-naphthalen-1-ylcyclopropyl)carbamoyl]phenoxy]methyl]cyclopropyl]carbamate
PubChem CID175879195
Molecular FormulaC30H34N2O4
Molecular Weight486.61 g/mol
Exact Mass486.25
IUPAC Namebutyl N-[1-[[4-methyl-3-[(1-naphthalen-1-ylcyclopropyl)carbamoyl]phenoxy]methyl]cyclopropyl]carbamate
SMILESCCCCOC(=O)NC1(COc2ccc(C)c(C(=O)NC3(c4cccc5ccccc45)CC3)c2)CC1
InChIInChI=1S/C30H34N2O4/c1-3-4-18-35-28(34)32-29(14-15-29)20-36-23-13-12-21(2)25(19-23)27(33)31-30(16-17-30)26-11-7-9-22-8-5-6-10-24(22)26/h5-13,19H,3-4,14-18,20H2,1-2H3,(H,31,33)(H,32,34)
InChIKeyCOCFPIBRESLUSS-UHFFFAOYSA-N
XLogP6.01
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.61
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-[[1-(3-methoxynaphthalen-1-yl)cyclopropyl]carbamoyl]-4-methylphenoxy]ethyl N-methylcarbamate
CID 175879151
5-(3-aminoanilino)-2-methyl-N-(1-naphthalen-1-ylcyclopropyl)benzamide
CID 174193130
5-(3-acetamidoanilino)-2-methyl-N-(1-naphthalen-1-ylcyclopropyl)benzamide
CID 174193131
N-[1-(4-butoxyphenyl)cyclopropyl]-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide
CID 176600583
butyl N-[1-(pyridin-3-yloxymethyl)cyclopropyl]carbamate
CID 142668388
2-methyl-5-(4-methylsulfonylpiperazin-1-yl)-N-(1-naphthalen-1-ylcyclopropyl)benzamide
CID 174194885
2-amino-6-methyl-N-(1-naphthalen-1-ylcyclopropyl)benzamide
CID 174193126
N-(1-naphthalen-1-ylcyclopropyl)-2-phenoxyacetamide
CID 110442268
butyl N-[2-(naphthalene-1-carbonylamino)ethyl]carbamate
CID 108573171
2-amino-N-(1-naphthalen-1-ylcyclopropyl)pyridine-4-carboxamide
CID 174193110
5-(azetidin-2-ylmethoxy)-N-[1-(7-ethylquinolin-5-yl)cyclopropyl]-2-methylbenzamide
CID 175878798
butyl N-(2-naphthalen-1-yloxyethyl)carbamate
CID 19174706

Frequently Asked Questions

What is the IUPAC name of butyl N-[1-[[4-methyl-3-[(1-naphthalen-1-ylcyclopropyl)carbamoyl]phenoxy]methyl]cyclopropyl]carbamate?
The IUPAC name of butyl N-[1-[[4-methyl-3-[(1-naphthalen-1-ylcyclopropyl)carbamoyl]phenoxy]methyl]cyclopropyl]carbamate (CID 175879195) is butyl N-[1-[[4-methyl-3-[(1-naphthalen-1-ylcyclopropyl)carbamoyl]phenoxy]methyl]cyclopropyl]carbamate.
What is the SMILES notation for butyl N-[1-[[4-methyl-3-[(1-naphthalen-1-ylcyclopropyl)carbamoyl]phenoxy]methyl]cyclopropyl]carbamate?
The canonical SMILES for butyl N-[1-[[4-methyl-3-[(1-naphthalen-1-ylcyclopropyl)carbamoyl]phenoxy]methyl]cyclopropyl]carbamate is CCCCOC(=O)NC1(COc2ccc(C)c(C(=O)NC3(c4cccc5ccccc45)CC3)c2)CC1.
What is the InChIKey of butyl N-[1-[[4-methyl-3-[(1-naphthalen-1-ylcyclopropyl)carbamoyl]phenoxy]methyl]cyclopropyl]carbamate?
The InChIKey is COCFPIBRESLUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O4/c1-3-4-18-35-28(34)32-29(14-15-29)20-36-23-13-12-21(2)25(19-23)27(33)31-30(16-17-30)26-11-7-9-22-8-5-6-10-24(22)26/h5-13,19H,3-4,14-18,20H2,1-2H3,(H,31,33)(H,32,34).
What are the key properties of butyl N-[1-[[4-methyl-3-[(1-naphthalen-1-ylcyclopropyl)carbamoyl]phenoxy]methyl]cyclopropyl]carbamate?
butyl N-[1-[[4-methyl-3-[(1-naphthalen-1-ylcyclopropyl)carbamoyl]phenoxy]methyl]cyclopropyl]carbamate has a molecular weight of 486.61 g/mol, XLogP of 6.01, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[1-[[4-methyl-3-[(1-naphthalen-1-ylcyclopropyl)carbamoyl]phenoxy]methyl]cyclopropyl]carbamate is sourced from PubChem (CID 175879195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).