tert-butyl N-[3-[3-(dimethylamino)prop-2-enoyl]-7-methoxynaphthalen-1-yl]carbamate

C21H26N2O4 — CID 67305617

IUPACtert-butyl N-[3-[3-(dimethylamino)prop-2-enoyl]-7-methoxynaphthalen-1-yl]carbamate
SMILESCOc1ccc2cc(C(=O)C=CN(C)C)cc(NC(=O)OC(C)(C)C)c2c1
InChIInChI=1S/C21H26N2O4/c1-21(2,3)27-20(25)22-18-12-15(19(24)9-10-23(4)5)11-14-7-8-16(26-6)13-17(14)18/h7-13H,1-6H3,(H,22,25)
InChIKeyNMRRBUJBBPCRFP-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.45
Rot. Bonds5

About tert-butyl N-[3-[3-(dimethylamino)prop-2-enoyl]-7-methoxynaphthalen-1-yl]carbamate

tert-butyl N-[3-[3-(dimethylamino)prop-2-enoyl]-7-methoxynaphthalen-1-yl]carbamate (PubChem CID 67305617) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is tert-butyl N-[3-[3-(dimethylamino)prop-2-enoyl]-7-methoxynaphthalen-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[3-(dimethylamino)prop-2-enoyl]-7-methoxynaphthalen-1-yl]carbamate
PubChem CID67305617
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Nametert-butyl N-[3-[3-(dimethylamino)prop-2-enoyl]-7-methoxynaphthalen-1-yl]carbamate
SMILESCOc1ccc2cc(C(=O)C=CN(C)C)cc(NC(=O)OC(C)(C)C)c2c1
InChIInChI=1S/C21H26N2O4/c1-21(2,3)27-20(25)22-18-12-15(19(24)9-10-23(4)5)11-14-7-8-16(26-6)13-17(14)18/h7-13H,1-6H3,(H,22,25)
InChIKeyNMRRBUJBBPCRFP-UHFFFAOYSA-N
XLogP4.45
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]-7-methylnaphthalen-1-yl]carbamate
CID 58336405
tert-butyl N-(6-methoxynaphthalen-1-yl)carbamate
CID 12843045
tert-butyl N-[2-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]carbamate
CID 162401948
tert-butyl N-[4-methoxy-2-(3-methylbutylamino)phenyl]carbamate
CID 107239683
tert-butyl N-(4-methoxy-2-prop-1-en-2-ylphenyl)carbamate
CID 71540754
tert-butyl N-[2-(2-cyclopropyl-2-oxoethyl)-4-methoxyphenyl]carbamate;ethane
CID 143915168
tert-butyl N-[6-[methoxy(methyl)carbamoyl]naphthalen-1-yl]carbamate
CID 141432303
tert-butyl N-[2-(2-cyclopentyl-2-hydroxyethyl)-4-methoxyphenyl]carbamate
CID 67684676
tert-butyl N-[2-(2-formamido-5-methoxy-N-methylanilino)ethyl]carbamate
CID 143527416
tert-butyl N-[2-(1-cyclopropylpropylamino)-4-methoxyphenyl]carbamate
CID 107239747
tert-butyl N-[4-methoxy-2-(4-methylsulfanylbutylamino)phenyl]carbamate
CID 107239738
tert-butyl N-[5-tert-butyl-3-[5-tert-butyl-2-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]anilino]-2-methoxyphenyl]carbamate
CID 102391021

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[3-(dimethylamino)prop-2-enoyl]-7-methoxynaphthalen-1-yl]carbamate?
The IUPAC name of tert-butyl N-[3-[3-(dimethylamino)prop-2-enoyl]-7-methoxynaphthalen-1-yl]carbamate (CID 67305617) is tert-butyl N-[3-[3-(dimethylamino)prop-2-enoyl]-7-methoxynaphthalen-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[3-(dimethylamino)prop-2-enoyl]-7-methoxynaphthalen-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-[3-(dimethylamino)prop-2-enoyl]-7-methoxynaphthalen-1-yl]carbamate is COc1ccc2cc(C(=O)C=CN(C)C)cc(NC(=O)OC(C)(C)C)c2c1.
What is the InChIKey of tert-butyl N-[3-[3-(dimethylamino)prop-2-enoyl]-7-methoxynaphthalen-1-yl]carbamate?
The InChIKey is NMRRBUJBBPCRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-21(2,3)27-20(25)22-18-12-15(19(24)9-10-23(4)5)11-14-7-8-16(26-6)13-17(14)18/h7-13H,1-6H3,(H,22,25).
What are the key properties of tert-butyl N-[3-[3-(dimethylamino)prop-2-enoyl]-7-methoxynaphthalen-1-yl]carbamate?
tert-butyl N-[3-[3-(dimethylamino)prop-2-enoyl]-7-methoxynaphthalen-1-yl]carbamate has a molecular weight of 370.45 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[3-(dimethylamino)prop-2-enoyl]-7-methoxynaphthalen-1-yl]carbamate is sourced from PubChem (CID 67305617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).