(3-methyl-5-morpholin-4-ylphenyl) N-tert-butylcarbamate

C16H24N2O3 — CID 174939307

IUPAC(3-methyl-5-morpholin-4-ylphenyl) N-tert-butylcarbamate
SMILESCc1cc(OC(=O)NC(C)(C)C)cc(N2CCOCC2)c1
InChIInChI=1S/C16H24N2O3/c1-12-9-13(18-5-7-20-8-6-18)11-14(10-12)21-15(19)17-16(2,3)4/h9-11H,5-8H2,1-4H3,(H,17,19)
InChIKeyKFSJLNQEQIGNCP-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.72
Rot. Bonds2

About (3-methyl-5-morpholin-4-ylphenyl) N-tert-butylcarbamate

(3-methyl-5-morpholin-4-ylphenyl) N-tert-butylcarbamate (PubChem CID 174939307) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is (3-methyl-5-morpholin-4-ylphenyl) N-tert-butylcarbamate.

Molecular Properties

Compound Name(3-methyl-5-morpholin-4-ylphenyl) N-tert-butylcarbamate
PubChem CID174939307
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name(3-methyl-5-morpholin-4-ylphenyl) N-tert-butylcarbamate
SMILESCc1cc(OC(=O)NC(C)(C)C)cc(N2CCOCC2)c1
InChIInChI=1S/C16H24N2O3/c1-12-9-13(18-5-7-20-8-6-18)11-14(10-12)21-15(19)17-16(2,3)4/h9-11H,5-8H2,1-4H3,(H,17,19)
InChIKeyKFSJLNQEQIGNCP-UHFFFAOYSA-N
XLogP2.72
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 10519968
1-tert-butyl-3-(2-methyl-4-morpholin-4-ylphenyl)urea
CID 78896475
tert-butyl N-methyl-N-(3-methyl-5-morpholin-4-ylphenyl)carbamate;carbon dioxide
CID 162025250
N-tert-butyl-3-(4-morpholin-4-ylphenyl)propanamide
CID 110649192
[2-amino-5-(4-methylpiperazin-1-yl)phenyl] N-tert-butylcarbamate
CID 156540244
4-(3-methyl-5-morpholin-4-ylphenyl)morpholin-3-one
CID 59817776
methyl (2S)-2-acetamido-2-(2,6-dichloro-4-morpholin-4-ylanilino)propanoate
CID 175335320
N-tert-butyl-4-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]benzamide
CID 31699427
methyl 2-methyl-4-morpholin-4-ylbenzoate
CID 90024135
3-morpholin-4-yl-5-(trifluoromethoxy)benzoic acid
CID 67454022
(2-morpholin-4-ylphenyl) N-(3,5-dimethylphenyl)carbamate
CID 2813061
ethyl 3-methoxy-5-morpholin-4-ylbenzoate
CID 69175826

Frequently Asked Questions

What is the IUPAC name of (3-methyl-5-morpholin-4-ylphenyl) N-tert-butylcarbamate?
The IUPAC name of (3-methyl-5-morpholin-4-ylphenyl) N-tert-butylcarbamate (CID 174939307) is (3-methyl-5-morpholin-4-ylphenyl) N-tert-butylcarbamate.
What is the SMILES notation for (3-methyl-5-morpholin-4-ylphenyl) N-tert-butylcarbamate?
The canonical SMILES for (3-methyl-5-morpholin-4-ylphenyl) N-tert-butylcarbamate is Cc1cc(OC(=O)NC(C)(C)C)cc(N2CCOCC2)c1.
What is the InChIKey of (3-methyl-5-morpholin-4-ylphenyl) N-tert-butylcarbamate?
The InChIKey is KFSJLNQEQIGNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12-9-13(18-5-7-20-8-6-18)11-14(10-12)21-15(19)17-16(2,3)4/h9-11H,5-8H2,1-4H3,(H,17,19).
What are the key properties of (3-methyl-5-morpholin-4-ylphenyl) N-tert-butylcarbamate?
(3-methyl-5-morpholin-4-ylphenyl) N-tert-butylcarbamate has a molecular weight of 292.38 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-5-morpholin-4-ylphenyl) N-tert-butylcarbamate is sourced from PubChem (CID 174939307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).