(5-tert-butyl-3-dimethylphosphoryl-2-methoxyphenyl) carbamate

C14H22NO4P — CID 152515501

IUPAC(5-tert-butyl-3-dimethylphosphoryl-2-methoxyphenyl) carbamate
SMILESCOc1c(OC(N)=O)cc(C(C)(C)C)cc1P(C)(C)=O
InChIInChI=1S/C14H22NO4P/c1-14(2,3)9-7-10(19-13(15)16)12(18-4)11(8-9)20(5,6)17/h7-8H,1-6H3,(H2,15,16)
InChIKeyYGKJFERDTIIGBS-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.70
Rot. Bonds3

About (5-tert-butyl-3-dimethylphosphoryl-2-methoxyphenyl) carbamate

(5-tert-butyl-3-dimethylphosphoryl-2-methoxyphenyl) carbamate (PubChem CID 152515501) has the molecular formula C14H22NO4P and a molecular weight of 299.31 g/mol. Its IUPAC name is (5-tert-butyl-3-dimethylphosphoryl-2-methoxyphenyl) carbamate.

Molecular Properties

Compound Name(5-tert-butyl-3-dimethylphosphoryl-2-methoxyphenyl) carbamate
PubChem CID152515501
Molecular FormulaC14H22NO4P
Molecular Weight299.31 g/mol
Exact Mass299.13
IUPAC Name(5-tert-butyl-3-dimethylphosphoryl-2-methoxyphenyl) carbamate
SMILESCOc1c(OC(N)=O)cc(C(C)(C)C)cc1P(C)(C)=O
InChIInChI=1S/C14H22NO4P/c1-14(2,3)9-7-10(19-13(15)16)12(18-4)11(8-9)20(5,6)17/h7-8H,1-6H3,(H2,15,16)
InChIKeyYGKJFERDTIIGBS-UHFFFAOYSA-N
XLogP2.70
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5-bromo-3-tert-butyl-2-fluoro-4-methoxyphenyl) carbamate
CID 175557467
[2-tert-butyl-5-(trifluoromethyl)phenyl] carbamate
CID 151784104
2-amino-2-(5-tert-butyl-2,3-dimethoxyphenyl)acetic acid
CID 117421670
1-(4-tert-butyl-2,6-dimethoxyphenyl)ethanone
CID 67914983
2-(4-tert-butyl-2-methoxyphenyl)propanamide
CID 91547316
3-amino-5-tert-butyl-2-methoxy-N-methylbenzamide
CID 23505820
[5-tert-butyl-3-(methanesulfonamido)-2-methoxy-4-phenylphenyl] carbamate
CID 142800636
(3,4-dimethoxy-5-methylphenyl) carbamate
CID 137496304
5-tert-butyl-1,2-dimethoxy-3-methylbenzene;ethane
CID 143060734
4-tert-butyl-2,6-dimethoxybenzaldehyde
CID 138453760
1-(3,5-ditert-butyl-2-methoxyphenyl)-4-fluoro-4-[methoxy(methyl)phosphoryl]oxypent-1-en-3-one
CID 87871950
2-[[5,11,17,23,29,35-hexatert-butyl-39,41-bis(carboxymethoxy)-38,40,42-trimethoxy-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaenyl]oxy]acetic acid
CID 11159151

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-3-dimethylphosphoryl-2-methoxyphenyl) carbamate?
The IUPAC name of (5-tert-butyl-3-dimethylphosphoryl-2-methoxyphenyl) carbamate (CID 152515501) is (5-tert-butyl-3-dimethylphosphoryl-2-methoxyphenyl) carbamate.
What is the SMILES notation for (5-tert-butyl-3-dimethylphosphoryl-2-methoxyphenyl) carbamate?
The canonical SMILES for (5-tert-butyl-3-dimethylphosphoryl-2-methoxyphenyl) carbamate is COc1c(OC(N)=O)cc(C(C)(C)C)cc1P(C)(C)=O.
What is the InChIKey of (5-tert-butyl-3-dimethylphosphoryl-2-methoxyphenyl) carbamate?
The InChIKey is YGKJFERDTIIGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22NO4P/c1-14(2,3)9-7-10(19-13(15)16)12(18-4)11(8-9)20(5,6)17/h7-8H,1-6H3,(H2,15,16).
What are the key properties of (5-tert-butyl-3-dimethylphosphoryl-2-methoxyphenyl) carbamate?
(5-tert-butyl-3-dimethylphosphoryl-2-methoxyphenyl) carbamate has a molecular weight of 299.31 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-3-dimethylphosphoryl-2-methoxyphenyl) carbamate is sourced from PubChem (CID 152515501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).