(4-nitrophenyl) N-(2-methyl-1-phenylpropan-2-yl)carbamate

C17H18N2O4 — CID 59365414

IUPAC(4-nitrophenyl) N-(2-methyl-1-phenylpropan-2-yl)carbamate
SMILESCC(C)(Cc1ccccc1)NC(=O)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H18N2O4/c1-17(2,12-13-6-4-3-5-7-13)18-16(20)23-15-10-8-14(9-11-15)19(21)22/h3-11H,12H2,1-2H3,(H,18,20)
InChIKeyRZIGHQQXUWNFRX-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.70
Rot. Bonds5

About (4-nitrophenyl) N-(2-methyl-1-phenylpropan-2-yl)carbamate

(4-nitrophenyl) N-(2-methyl-1-phenylpropan-2-yl)carbamate (PubChem CID 59365414) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is (4-nitrophenyl) N-(2-methyl-1-phenylpropan-2-yl)carbamate.

Molecular Properties

Compound Name(4-nitrophenyl) N-(2-methyl-1-phenylpropan-2-yl)carbamate
PubChem CID59365414
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name(4-nitrophenyl) N-(2-methyl-1-phenylpropan-2-yl)carbamate
SMILESCC(C)(Cc1ccccc1)NC(=O)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H18N2O4/c1-17(2,12-13-6-4-3-5-7-13)18-16(20)23-15-10-8-14(9-11-15)19(21)22/h3-11H,12H2,1-2H3,(H,18,20)
InChIKeyRZIGHQQXUWNFRX-UHFFFAOYSA-N
XLogP3.70
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methyl-1-phenylpropan-2-yl)-4-nitrobenzamide
CID 84568314
tert-butyl N-[2-methyl-1-(4-nitrophenyl)propan-2-yl]carbamate
CID 22981071
(4-nitrophenyl) N-(1,1,1-trifluoro-2-methylpropan-2-yl)carbamate
CID 66584101
tert-butyl 2-[(4-nitrophenoxy)carbonylamino]-3-phenylpropanoate
CID 66953158
[2-methyl-1-[4-(2-methyl-4-nitrophenoxy)phenyl]propan-2-yl]carbamic acid
CID 90686642
3-(4-nitrophenoxy)-3-oxopropanoic acid
CID 14314981
3-methyl-3-(4-nitrophenoxy)-1-phenylbutan-2-one
CID 158264769
(4-nitrophenyl) N-[[4-[[(4-nitrophenoxy)carbonylamino]methyl]phenyl]methyl]carbamate
CID 57126958
(4-nitrophenyl) 2-(phenylmethoxycarbonylamino)butanoate
CID 70581994
benzyl 2-methyl-3-(4-nitrophenoxy)carbonyloxy-2-[(4-nitrophenoxy)carbonyloxymethyl]propanoate
CID 169049067
(4-nitrophenyl) (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxybutanoate
CID 133126627
(4-nitrophenyl) 2-benzylsulfanylacetate
CID 14410541

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl) N-(2-methyl-1-phenylpropan-2-yl)carbamate?
The IUPAC name of (4-nitrophenyl) N-(2-methyl-1-phenylpropan-2-yl)carbamate (CID 59365414) is (4-nitrophenyl) N-(2-methyl-1-phenylpropan-2-yl)carbamate.
What is the SMILES notation for (4-nitrophenyl) N-(2-methyl-1-phenylpropan-2-yl)carbamate?
The canonical SMILES for (4-nitrophenyl) N-(2-methyl-1-phenylpropan-2-yl)carbamate is CC(C)(Cc1ccccc1)NC(=O)Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (4-nitrophenyl) N-(2-methyl-1-phenylpropan-2-yl)carbamate?
The InChIKey is RZIGHQQXUWNFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-17(2,12-13-6-4-3-5-7-13)18-16(20)23-15-10-8-14(9-11-15)19(21)22/h3-11H,12H2,1-2H3,(H,18,20).
What are the key properties of (4-nitrophenyl) N-(2-methyl-1-phenylpropan-2-yl)carbamate?
(4-nitrophenyl) N-(2-methyl-1-phenylpropan-2-yl)carbamate has a molecular weight of 314.34 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl) N-(2-methyl-1-phenylpropan-2-yl)carbamate is sourced from PubChem (CID 59365414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).