tert-butyl N-[4-[(2-butoxy-5-methoxyphenyl)carbamoyl]phenyl]carbamate

C23H30N2O5 — CID 35363555

IUPACtert-butyl N-[4-[(2-butoxy-5-methoxyphenyl)carbamoyl]phenyl]carbamate
SMILESCCCCOc1ccc(OC)cc1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C23H30N2O5/c1-6-7-14-29-20-13-12-18(28-5)15-19(20)25-21(26)16-8-10-17(11-9-16)24-22(27)30-23(2,3)4/h8-13,15H,6-7,14H2,1-5H3,(H,24,27)(H,25,26)
InChIKeyBSCCSQQAVKDKEG-UHFFFAOYSA-N
MW414.50 g/mol
LogP5.47
Rot. Bonds8

About tert-butyl N-[4-[(2-butoxy-5-methoxyphenyl)carbamoyl]phenyl]carbamate

tert-butyl N-[4-[(2-butoxy-5-methoxyphenyl)carbamoyl]phenyl]carbamate (PubChem CID 35363555) has the molecular formula C23H30N2O5 and a molecular weight of 414.50 g/mol. Its IUPAC name is tert-butyl N-[4-[(2-butoxy-5-methoxyphenyl)carbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(2-butoxy-5-methoxyphenyl)carbamoyl]phenyl]carbamate
PubChem CID35363555
Molecular FormulaC23H30N2O5
Molecular Weight414.50 g/mol
Exact Mass414.22
IUPAC Nametert-butyl N-[4-[(2-butoxy-5-methoxyphenyl)carbamoyl]phenyl]carbamate
SMILESCCCCOc1ccc(OC)cc1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C23H30N2O5/c1-6-7-14-29-20-13-12-18(28-5)15-19(20)25-21(26)16-8-10-17(11-9-16)24-22(27)30-23(2,3)4/h8-13,15H,6-7,14H2,1-5H3,(H,24,27)(H,25,26)
InChIKeyBSCCSQQAVKDKEG-UHFFFAOYSA-N
XLogP5.47
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.50
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-N-(2-butoxy-5-methoxyphenyl)benzamide;hydrochloride
CID 119284799
3-benzamido-N-(2-butoxy-5-methoxyphenyl)-4-methylbenzamide
CID 55674446
3-amino-N-(2-butoxy-5-methoxyphenyl)benzamide;hydrochloride
CID 119715062
4-butoxy-3-ethoxy-N-(4-methoxyphenyl)benzamide
CID 27228846
N-[1-(2-butoxy-5-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 55675298
N-(2-amino-5-methoxyphenyl)-4-butoxy-3-methoxybenzamide;hydrochloride
CID 119421240
tert-butyl N-[4-(2-methoxyethoxy)phenyl]carbamate
CID 17340467
N-(2-butoxy-5-methoxyphenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 55777600
N-(2-butoxy-5-methoxyphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 55675382
tert-butyl N-[5-(hexylamino)-2-methoxyphenyl]carbamate
CID 107239632
N-(2-amino-5-methoxyphenyl)-4-butoxy-3-ethoxybenzamide
CID 119421219
N-[4-(butylamino)phenyl]-4-methoxybenzamide
CID 112980225

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(2-butoxy-5-methoxyphenyl)carbamoyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(2-butoxy-5-methoxyphenyl)carbamoyl]phenyl]carbamate (CID 35363555) is tert-butyl N-[4-[(2-butoxy-5-methoxyphenyl)carbamoyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(2-butoxy-5-methoxyphenyl)carbamoyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(2-butoxy-5-methoxyphenyl)carbamoyl]phenyl]carbamate is CCCCOc1ccc(OC)cc1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[4-[(2-butoxy-5-methoxyphenyl)carbamoyl]phenyl]carbamate?
The InChIKey is BSCCSQQAVKDKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5/c1-6-7-14-29-20-13-12-18(28-5)15-19(20)25-21(26)16-8-10-17(11-9-16)24-22(27)30-23(2,3)4/h8-13,15H,6-7,14H2,1-5H3,(H,24,27)(H,25,26).
What are the key properties of tert-butyl N-[4-[(2-butoxy-5-methoxyphenyl)carbamoyl]phenyl]carbamate?
tert-butyl N-[4-[(2-butoxy-5-methoxyphenyl)carbamoyl]phenyl]carbamate has a molecular weight of 414.50 g/mol, XLogP of 5.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(2-butoxy-5-methoxyphenyl)carbamoyl]phenyl]carbamate is sourced from PubChem (CID 35363555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).