(2-methyl-3-phenylheptan-2-yl) N-aminocarbamate

C15H24N2O2 — CID 174809384

IUPAC(2-methyl-3-phenylheptan-2-yl) N-aminocarbamate
SMILESCCCCC(c1ccccc1)C(C)(C)OC(=O)NN
InChIInChI=1S/C15H24N2O2/c1-4-5-11-13(12-9-7-6-8-10-12)15(2,3)19-14(18)17-16/h6-10,13H,4-5,11,16H2,1-3H3,(H,17,18)
InChIKeyCLOFISMBMQNYMS-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.34
Rot. Bonds6

About (2-methyl-3-phenylheptan-2-yl) N-aminocarbamate

(2-methyl-3-phenylheptan-2-yl) N-aminocarbamate (PubChem CID 174809384) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (2-methyl-3-phenylheptan-2-yl) N-aminocarbamate.

Molecular Properties

Compound Name(2-methyl-3-phenylheptan-2-yl) N-aminocarbamate
PubChem CID174809384
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(2-methyl-3-phenylheptan-2-yl) N-aminocarbamate
SMILESCCCCC(c1ccccc1)C(C)(C)OC(=O)NN
InChIInChI=1S/C15H24N2O2/c1-4-5-11-13(12-9-7-6-8-10-12)15(2,3)19-14(18)17-16/h6-10,13H,4-5,11,16H2,1-3H3,(H,17,18)
InChIKeyCLOFISMBMQNYMS-UHFFFAOYSA-N
XLogP3.34
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-3-phenylheptanal
CID 174996144
2-(1,1,2-triphenylhexoxy)acetic acid
CID 175075419
2,2-dimethoxyundecan-3-ylbenzene
CID 152553562
butyl (2R)-3,3-dimethyl-2-phenylbutanoate
CID 66805431
butyl N-(1-phenylethyl)carbamate
CID 571821
(2-formyl-1-oxo-3-phenylnonan-2-yl) 2-hydroxypropanoate
CID 141224780
azanium (2-methyl-3-phenylpentadecan-2-yl) sulfate
CID 141049952
(2,2-dimethyl-1-phenylheptan-3-yl)benzene
CID 173376871
tert-butyl N-[2-(1-phenylpentylamino)propyl]carbamate
CID 107248482
tert-butyl N-(1-hydroxy-1-phenyloctan-3-yl)carbamate
CID 101411554
2-amino-2-methyl-3-phenyldodecan-1-ol
CID 174465183
methyl 2-phenylheptanoate
CID 143443478

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-phenylheptan-2-yl) N-aminocarbamate?
The IUPAC name of (2-methyl-3-phenylheptan-2-yl) N-aminocarbamate (CID 174809384) is (2-methyl-3-phenylheptan-2-yl) N-aminocarbamate.
What is the SMILES notation for (2-methyl-3-phenylheptan-2-yl) N-aminocarbamate?
The canonical SMILES for (2-methyl-3-phenylheptan-2-yl) N-aminocarbamate is CCCCC(c1ccccc1)C(C)(C)OC(=O)NN.
What is the InChIKey of (2-methyl-3-phenylheptan-2-yl) N-aminocarbamate?
The InChIKey is CLOFISMBMQNYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-5-11-13(12-9-7-6-8-10-12)15(2,3)19-14(18)17-16/h6-10,13H,4-5,11,16H2,1-3H3,(H,17,18).
What are the key properties of (2-methyl-3-phenylheptan-2-yl) N-aminocarbamate?
(2-methyl-3-phenylheptan-2-yl) N-aminocarbamate has a molecular weight of 264.37 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3-phenylheptan-2-yl) N-aminocarbamate is sourced from PubChem (CID 174809384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).