tert-butyl N-[ethylcarbamoyl(naphthalen-2-ylmethyl)amino]carbamate

C19H25N3O3 — CID 59015897

IUPACtert-butyl N-[ethylcarbamoyl(naphthalen-2-ylmethyl)amino]carbamate
SMILESCCNC(=O)N(Cc1ccc2ccccc2c1)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H25N3O3/c1-5-20-17(23)22(21-18(24)25-19(2,3)4)13-14-10-11-15-8-6-7-9-16(15)12-14/h6-12H,5,13H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyDLABZPYOZGLNRW-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.81
Rot. Bonds3

About tert-butyl N-[ethylcarbamoyl(naphthalen-2-ylmethyl)amino]carbamate

tert-butyl N-[ethylcarbamoyl(naphthalen-2-ylmethyl)amino]carbamate (PubChem CID 59015897) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is tert-butyl N-[ethylcarbamoyl(naphthalen-2-ylmethyl)amino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[ethylcarbamoyl(naphthalen-2-ylmethyl)amino]carbamate
PubChem CID59015897
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Nametert-butyl N-[ethylcarbamoyl(naphthalen-2-ylmethyl)amino]carbamate
SMILESCCNC(=O)N(Cc1ccc2ccccc2c1)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H25N3O3/c1-5-20-17(23)22(21-18(24)25-19(2,3)4)13-14-10-11-15-8-6-7-9-16(15)12-14/h6-12H,5,13H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyDLABZPYOZGLNRW-UHFFFAOYSA-N
XLogP3.81
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-1-methyl-1-(naphthalen-2-ylmethyl)urea
CID 34711127
tert-butyl N-[4-[(2-naphthalen-2-ylacetyl)amino]butyl]carbamate
CID 19989025
(2S)-2-[[benzyl-[(2-methylpropan-2-yl)oxycarbonylamino]carbamoyl]amino]-3-phenylpropanoic acid
CID 18651118
tert-butyl N-[benzyl(2,2-dimethylbutanoyl)amino]carbamate
CID 178067850
(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-naphthalen-2-ylbutanoic acid
CID 7021578
tert-butyl N-[(2R)-1-(diethylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate
CID 11624892
tert-butyl N-benzyl-N-(naphthalene-2-carbonyl)carbamate
CID 101149303
naphthalen-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 57153097
tert-butyl N-[(4-fluorophenyl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate
CID 86280094
N-methyl-2-[(2-methylpropan-2-yl)oxy]-N-(naphthalen-2-ylmethyl)acetamide
CID 115950185
methyl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-naphthalen-2-ylbutanoate
CID 140983223
chloromethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-2-ylpropanoate
CID 138986414

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[ethylcarbamoyl(naphthalen-2-ylmethyl)amino]carbamate?
The IUPAC name of tert-butyl N-[ethylcarbamoyl(naphthalen-2-ylmethyl)amino]carbamate (CID 59015897) is tert-butyl N-[ethylcarbamoyl(naphthalen-2-ylmethyl)amino]carbamate.
What is the SMILES notation for tert-butyl N-[ethylcarbamoyl(naphthalen-2-ylmethyl)amino]carbamate?
The canonical SMILES for tert-butyl N-[ethylcarbamoyl(naphthalen-2-ylmethyl)amino]carbamate is CCNC(=O)N(Cc1ccc2ccccc2c1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[ethylcarbamoyl(naphthalen-2-ylmethyl)amino]carbamate?
The InChIKey is DLABZPYOZGLNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-5-20-17(23)22(21-18(24)25-19(2,3)4)13-14-10-11-15-8-6-7-9-16(15)12-14/h6-12H,5,13H2,1-4H3,(H,20,23)(H,21,24).
What are the key properties of tert-butyl N-[ethylcarbamoyl(naphthalen-2-ylmethyl)amino]carbamate?
tert-butyl N-[ethylcarbamoyl(naphthalen-2-ylmethyl)amino]carbamate has a molecular weight of 343.43 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[ethylcarbamoyl(naphthalen-2-ylmethyl)amino]carbamate is sourced from PubChem (CID 59015897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).