tert-butyl-[[4-[(naphthalene-1-carbonylamino)methyl]phenyl]methyl]carbamic acid

C24H26N2O3 — CID 68877183

IUPACtert-butyl-[[4-[(naphthalene-1-carbonylamino)methyl]phenyl]methyl]carbamic acid
SMILESCC(C)(C)N(Cc1ccc(CNC(=O)c2cccc3ccccc23)cc1)C(=O)O
InChIInChI=1S/C24H26N2O3/c1-24(2,3)26(23(28)29)16-18-13-11-17(12-14-18)15-25-22(27)21-10-6-8-19-7-4-5-9-20(19)21/h4-14H,15-16H2,1-3H3,(H,25,27)(H,28,29)
InChIKeyKCLYDCPYHDWJKS-UHFFFAOYSA-N
MW390.48 g/mol
LogP5.05
Rot. Bonds5

About tert-butyl-[[4-[(naphthalene-1-carbonylamino)methyl]phenyl]methyl]carbamic acid

tert-butyl-[[4-[(naphthalene-1-carbonylamino)methyl]phenyl]methyl]carbamic acid (PubChem CID 68877183) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is tert-butyl-[[4-[(naphthalene-1-carbonylamino)methyl]phenyl]methyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[[4-[(naphthalene-1-carbonylamino)methyl]phenyl]methyl]carbamic acid
PubChem CID68877183
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Nametert-butyl-[[4-[(naphthalene-1-carbonylamino)methyl]phenyl]methyl]carbamic acid
SMILESCC(C)(C)N(Cc1ccc(CNC(=O)c2cccc3ccccc23)cc1)C(=O)O
InChIInChI=1S/C24H26N2O3/c1-24(2,3)26(23(28)29)16-18-13-11-17(12-14-18)15-25-22(27)21-10-6-8-19-7-4-5-9-20(19)21/h4-14H,15-16H2,1-3H3,(H,25,27)(H,28,29)
InChIKeyKCLYDCPYHDWJKS-UHFFFAOYSA-N
XLogP5.05
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-tert-butylnaphthalene-1-carboxamide
CID 10914114
N-[[4-(methylsulfonylmethyl)phenyl]methyl]naphthalene-1-carboxamide
CID 60535333
N-[[4-(hydroxycarbamoyl)phenyl]methyl]naphthalene-1-carboxamide
CID 10125717
N-[(4-sulfamoylphenyl)methyl]naphthalene-1-carboxamide
CID 4125317
N-[[4-[(3-methylphenyl)methylcarbamoyl]phenyl]methyl]naphthalene-1-carboxamide
CID 10645141
N-benzyl-N-tert-butyl-2-naphthalen-1-ylacetamide
CID 2203262
tert-butyl N-[3-[4-[(naphthalene-1-carbonylamino)methyl]anilino]-3-oxopropyl]carbamate
CID 108920522
methyl 2-(naphthalene-1-carbonylamino)acetate
CID 19789843
5-amino-N-[(4-tert-butylphenyl)methyl]naphthalene-1-carboxamide
CID 69058380
ethane;N-ethylnaphthalene-1-carboxamide;propane
CID 144944456
N-[2-[benzyl(methyl)carbamoyl]phenyl]naphthalene-1-carboxamide
CID 30337138
1-N,2-N,3-N-tribenzylbenzene-1,2,3-tricarboxamide
CID 70015173

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[4-[(naphthalene-1-carbonylamino)methyl]phenyl]methyl]carbamic acid?
The IUPAC name of tert-butyl-[[4-[(naphthalene-1-carbonylamino)methyl]phenyl]methyl]carbamic acid (CID 68877183) is tert-butyl-[[4-[(naphthalene-1-carbonylamino)methyl]phenyl]methyl]carbamic acid.
What is the SMILES notation for tert-butyl-[[4-[(naphthalene-1-carbonylamino)methyl]phenyl]methyl]carbamic acid?
The canonical SMILES for tert-butyl-[[4-[(naphthalene-1-carbonylamino)methyl]phenyl]methyl]carbamic acid is CC(C)(C)N(Cc1ccc(CNC(=O)c2cccc3ccccc23)cc1)C(=O)O.
What is the InChIKey of tert-butyl-[[4-[(naphthalene-1-carbonylamino)methyl]phenyl]methyl]carbamic acid?
The InChIKey is KCLYDCPYHDWJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-24(2,3)26(23(28)29)16-18-13-11-17(12-14-18)15-25-22(27)21-10-6-8-19-7-4-5-9-20(19)21/h4-14H,15-16H2,1-3H3,(H,25,27)(H,28,29).
What are the key properties of tert-butyl-[[4-[(naphthalene-1-carbonylamino)methyl]phenyl]methyl]carbamic acid?
tert-butyl-[[4-[(naphthalene-1-carbonylamino)methyl]phenyl]methyl]carbamic acid has a molecular weight of 390.48 g/mol, XLogP of 5.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[4-[(naphthalene-1-carbonylamino)methyl]phenyl]methyl]carbamic acid is sourced from PubChem (CID 68877183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).