tert-butyl N-[1-[(4-ethoxynaphthalen-1-yl)carbamoyl]cyclopropyl]carbamate

C21H26N2O4 — CID 100780782

IUPACtert-butyl N-[1-[(4-ethoxynaphthalen-1-yl)carbamoyl]cyclopropyl]carbamate
SMILESCCOc1ccc(NC(=O)C2(NC(=O)OC(C)(C)C)CC2)c2ccccc12
InChIInChI=1S/C21H26N2O4/c1-5-26-17-11-10-16(14-8-6-7-9-15(14)17)22-18(24)21(12-13-21)23-19(25)27-20(2,3)4/h6-11H,5,12-13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyHHYUQRNBWMPEDQ-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.23
Rot. Bonds5

About tert-butyl N-[1-[(4-ethoxynaphthalen-1-yl)carbamoyl]cyclopropyl]carbamate

tert-butyl N-[1-[(4-ethoxynaphthalen-1-yl)carbamoyl]cyclopropyl]carbamate (PubChem CID 100780782) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is tert-butyl N-[1-[(4-ethoxynaphthalen-1-yl)carbamoyl]cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(4-ethoxynaphthalen-1-yl)carbamoyl]cyclopropyl]carbamate
PubChem CID100780782
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Nametert-butyl N-[1-[(4-ethoxynaphthalen-1-yl)carbamoyl]cyclopropyl]carbamate
SMILESCCOc1ccc(NC(=O)C2(NC(=O)OC(C)(C)C)CC2)c2ccccc12
InChIInChI=1S/C21H26N2O4/c1-5-26-17-11-10-16(14-8-6-7-9-15(14)17)22-18(24)21(12-13-21)23-19(25)27-20(2,3)4/h6-11H,5,12-13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyHHYUQRNBWMPEDQ-UHFFFAOYSA-N
XLogP4.23
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(4-ethoxynaphthalen-1-yl)carbamoyl]cyclopropyl]thiophene-2-carboxamide
CID 100781025
tert-butyl N-[4-(cyanomethoxy)naphthalen-1-yl]carbamate
CID 59553417
N-(4-ethoxynaphthalen-1-yl)-1-propoxycyclohexane-1-carboxamide
CID 100767338
N-(4-ethoxynaphthalen-1-yl)-2-methyl-2-phenylpropanamide
CID 100782776
N-(4-ethoxynaphthalen-1-yl)-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 100750314
N-(4-ethoxynaphthalen-1-yl)-2,2-dimethyl-3-(4-methylphenyl)propanamide
CID 100782651
N-(4-ethoxynaphthalen-1-yl)-2-methyl-2-propoxybutanamide
CID 133204053
N-(4-ethoxynaphthalen-1-yl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide
CID 100765689
tert-butyl N-[4-(3-chloropropoxy)naphthalen-1-yl]carbamate;4-(3-chloropropoxy)naphthalen-1-amine
CID 157060860
[4-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl] 2-iodo-2-methylpropanoate
CID 162509514
tert-butyl N-[3-(phenylcarbamoyl)pyrrolidin-3-yl]carbamate
CID 86716672
1-methoxy-4-methyl-N-(4-propoxynaphthalen-1-yl)cyclohexane-1-carboxamide
CID 100757809

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(4-ethoxynaphthalen-1-yl)carbamoyl]cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[1-[(4-ethoxynaphthalen-1-yl)carbamoyl]cyclopropyl]carbamate (CID 100780782) is tert-butyl N-[1-[(4-ethoxynaphthalen-1-yl)carbamoyl]cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(4-ethoxynaphthalen-1-yl)carbamoyl]cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(4-ethoxynaphthalen-1-yl)carbamoyl]cyclopropyl]carbamate is CCOc1ccc(NC(=O)C2(NC(=O)OC(C)(C)C)CC2)c2ccccc12.
What is the InChIKey of tert-butyl N-[1-[(4-ethoxynaphthalen-1-yl)carbamoyl]cyclopropyl]carbamate?
The InChIKey is HHYUQRNBWMPEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-5-26-17-11-10-16(14-8-6-7-9-15(14)17)22-18(24)21(12-13-21)23-19(25)27-20(2,3)4/h6-11H,5,12-13H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of tert-butyl N-[1-[(4-ethoxynaphthalen-1-yl)carbamoyl]cyclopropyl]carbamate?
tert-butyl N-[1-[(4-ethoxynaphthalen-1-yl)carbamoyl]cyclopropyl]carbamate has a molecular weight of 370.45 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(4-ethoxynaphthalen-1-yl)carbamoyl]cyclopropyl]carbamate is sourced from PubChem (CID 100780782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).