N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C21H24N2O3 — CID 48502605

IUPACN-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCOc1ccc(CNC(=O)CNC(=O)C2CCCc3ccccc32)cc1
InChIInChI=1S/C21H24N2O3/c1-26-17-11-9-15(10-12-17)13-22-20(24)14-23-21(25)19-8-4-6-16-5-2-3-7-18(16)19/h2-3,5,7,9-12,19H,4,6,8,13-14H2,1H3,(H,22,24)(H,23,25)
InChIKeyCVMKILQLUFUIIC-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.55
Rot. Bonds6

About N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 48502605) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID48502605
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCOc1ccc(CNC(=O)CNC(=O)C2CCCc3ccccc32)cc1
InChIInChI=1S/C21H24N2O3/c1-26-17-11-9-15(10-12-17)13-22-20(24)14-23-21(25)19-8-4-6-16-5-2-3-7-18(16)19/h2-3,5,7,9-12,19H,4,6,8,13-14H2,1H3,(H,22,24)(H,23,25)
InChIKeyCVMKILQLUFUIIC-UHFFFAOYSA-N
XLogP2.55
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-[2-(tert-butylamino)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 39983733
N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 55902019
2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 134043050
N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 134002068
N-(3,3-dimethyl-2-oxobutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 64991886
N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 46557813
N-(2,4-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 134002451
ethane;N-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 142124483
N-[(3-hydroxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 61150664
N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 48735822
2-[(4-methoxyphenyl)methylcarbamoylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]spiro[3.3]heptane-6-carboxamide
CID 169317934
trans-(1R,2R)-N-[2-(benzylamino)-2-oxoethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 94824020

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 48502605) is N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is COc1ccc(CNC(=O)CNC(=O)C2CCCc3ccccc32)cc1.
What is the InChIKey of N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is CVMKILQLUFUIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-26-17-11-9-15(10-12-17)13-22-20(24)14-23-21(25)19-8-4-6-16-5-2-3-7-18(16)19/h2-3,5,7,9-12,19H,4,6,8,13-14H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 48502605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).