tert-butyl N-(4-methoxybenzoyl)carbamate

C13H17NO4 — CID 14221825

IUPACtert-butyl N-(4-methoxybenzoyl)carbamate
SMILESCOc1ccc(C(=O)NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C13H17NO4/c1-13(2,3)18-12(16)14-11(15)9-5-7-10(17-4)8-6-9/h5-8H,1-4H3,(H,14,15,16)
InChIKeyURWYOQKECZYZHD-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.36
Rot. Bonds2

About tert-butyl N-(4-methoxybenzoyl)carbamate

tert-butyl N-(4-methoxybenzoyl)carbamate (PubChem CID 14221825) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is tert-butyl N-(4-methoxybenzoyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-methoxybenzoyl)carbamate
PubChem CID14221825
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Nametert-butyl N-(4-methoxybenzoyl)carbamate
SMILESCOc1ccc(C(=O)NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C13H17NO4/c1-13(2,3)18-12(16)14-11(15)9-5-7-10(17-4)8-6-9/h5-8H,1-4H3,(H,14,15,16)
InChIKeyURWYOQKECZYZHD-UHFFFAOYSA-N
XLogP2.36
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-(4-methoxybenzoyl)carbamate
CID 10420604
tert-butyl N-[2-[(4-methoxybenzoyl)amino]ethyl]carbamate
CID 71505026
tert-butyl 2-[(4-methoxybenzoyl)amino]acetate
CID 135045716
tert-butyl N-[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]carbamate
CID 90091062
N-(tert-butylcarbamothioyl)-4-methoxybenzamide
CID 920636
tert-butyl N-[(Z)-[amino-(4-methoxyphenyl)methylidene]amino]carbamate
CID 56604348
tert-butyl N-[[amino-(4-methoxyphenyl)methylidene]amino]carbamate
CID 57363286
tert-butyl N-(1-benzoyl-5-methoxyindole-2-carbonyl)carbamate
CID 166446646
tert-butyl N-[3-[(4-methoxybenzoyl)amino]-4-pyridinyl]carbamate
CID 12069537
N-carbamothioyl-4-methoxybenzamide
CID 14007083
methyl (2S,3R)-2-[[4-(4-methoxyphenyl)benzoyl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 70868505
tert-butyl N-(furan-3-carbonyl)carbamate
CID 176560288

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-methoxybenzoyl)carbamate?
The IUPAC name of tert-butyl N-(4-methoxybenzoyl)carbamate (CID 14221825) is tert-butyl N-(4-methoxybenzoyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-methoxybenzoyl)carbamate?
The canonical SMILES for tert-butyl N-(4-methoxybenzoyl)carbamate is COc1ccc(C(=O)NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-(4-methoxybenzoyl)carbamate?
The InChIKey is URWYOQKECZYZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-13(2,3)18-12(16)14-11(15)9-5-7-10(17-4)8-6-9/h5-8H,1-4H3,(H,14,15,16).
What are the key properties of tert-butyl N-(4-methoxybenzoyl)carbamate?
tert-butyl N-(4-methoxybenzoyl)carbamate has a molecular weight of 251.28 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-methoxybenzoyl)carbamate is sourced from PubChem (CID 14221825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).