2-methylpropyl N-(2-methoxy-4-nitrophenyl)carbamate

C12H16N2O5 — CID 18877565

IUPAC2-methylpropyl N-(2-methoxy-4-nitrophenyl)carbamate
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)OCC(C)C
InChIInChI=1S/C12H16N2O5/c1-8(2)7-19-12(15)13-10-5-4-9(14(16)17)6-11(10)18-3/h4-6,8H,7H2,1-3H3,(H,13,15)
InChIKeyTVXBJNVHIMTFDC-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.81
Rot. Bonds5

About 2-methylpropyl N-(2-methoxy-4-nitrophenyl)carbamate

2-methylpropyl N-(2-methoxy-4-nitrophenyl)carbamate (PubChem CID 18877565) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-methylpropyl N-(2-methoxy-4-nitrophenyl)carbamate.

Molecular Properties

Compound Name2-methylpropyl N-(2-methoxy-4-nitrophenyl)carbamate
PubChem CID18877565
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name2-methylpropyl N-(2-methoxy-4-nitrophenyl)carbamate
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)OCC(C)C
InChIInChI=1S/C12H16N2O5/c1-8(2)7-19-12(15)13-10-5-4-9(14(16)17)6-11(10)18-3/h4-6,8H,7H2,1-3H3,(H,13,15)
InChIKeyTVXBJNVHIMTFDC-UHFFFAOYSA-N
XLogP2.81
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-(2-methylpropoxycarbonylamino)-5-nitrobenzoic acid
CID 63110695
2-methylpropyl N-(2-hydroxy-5-nitrophenyl)carbamate
CID 56689131
(2S)-2-amino-N-(2-methoxy-4-nitrophenyl)-4-methylpentanamide
CID 61179493
(2S)-2-amino-N-(2-methoxy-4-nitrophenyl)-3-methylbutanamide
CID 61179494
2-phenoxyethyl N-(2-methoxy-4-nitrophenyl)carbamate
CID 4276439
2-methoxy-N-(3-methylbutyl)-4-nitroaniline
CID 43720047
N-(2-methoxy-4-nitrophenyl)-3-(propan-2-ylamino)propanamide
CID 60716313
N'-butan-2-yl-N-(2-methoxy-4-nitrophenyl)oxamide
CID 108505403
1-ethyl-3-(2-methoxy-4-nitrophenyl)urea
CID 108890439
(2S)-2-[(2-methoxy-4-nitrophenyl)carbamoylamino]propanoic acid
CID 62881546
N-(2-methoxy-4-nitrophenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 54782184
methyl 4-(2-methoxy-4-nitroanilino)-4-oxobutanoate
CID 54781631

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(2-methoxy-4-nitrophenyl)carbamate?
The IUPAC name of 2-methylpropyl N-(2-methoxy-4-nitrophenyl)carbamate (CID 18877565) is 2-methylpropyl N-(2-methoxy-4-nitrophenyl)carbamate.
What is the SMILES notation for 2-methylpropyl N-(2-methoxy-4-nitrophenyl)carbamate?
The canonical SMILES for 2-methylpropyl N-(2-methoxy-4-nitrophenyl)carbamate is COc1cc([N+](=O)[O-])ccc1NC(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl N-(2-methoxy-4-nitrophenyl)carbamate?
The InChIKey is TVXBJNVHIMTFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-8(2)7-19-12(15)13-10-5-4-9(14(16)17)6-11(10)18-3/h4-6,8H,7H2,1-3H3,(H,13,15).
What are the key properties of 2-methylpropyl N-(2-methoxy-4-nitrophenyl)carbamate?
2-methylpropyl N-(2-methoxy-4-nitrophenyl)carbamate has a molecular weight of 268.27 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(2-methoxy-4-nitrophenyl)carbamate is sourced from PubChem (CID 18877565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).